SCHEMBL702149

SCHEMBL702149

CC(=O)c1ccccc1-n1cccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
LMNA P02545 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.52
ALOX12 P18054 1/20 0.51
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL228778 0.81 ALDH1A1 (0.61) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL29671348 0.81 ALDH1A1 (0.61) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL607557 0.79 ALDH1A1 (0.65) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
Lithium SCHEMBL31310856 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL6387047 0.79 ALDH1A1 (0.69) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL27714233 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL8876281 0.79 KMT2A (0.62) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL1132341 0.78 IDO1 (0.57) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL14406020 0.77 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1
SCHEMBL19903092 0.76 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP2C9LMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2020-02-11 US disclosed
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed
EP-3431464-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2019-01-23 EP disclosed
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2018-12-20 US disclosed
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2018-08-28 US disclosed
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2015-04-02 US disclosed
US-8895050-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2014-11-25 US disclosed
US-20130096334-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst The United States of America as represented by the Administrator of the United States Environment Pr (US) 2013-04-18 US disclosed
US-8124121-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2012-02-28 US disclosed
US-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst USA as Represented by the Administrator of U.S. Environmental Protection Agency (US) 2011-03-03 US disclosed
US-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst USA as Represented by the Administrator of U.S. Environmental Protection Agency (US) 2011-03-03 US disclosed
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. 2009-04-30 US disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 ALDH1A1 959/4885CYP2C19 3875/4885CYP2C9 3391/4885
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885CYP2C19 3893/4885CYP2C9 3517/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 ALDH1A1 959/4885CYP2C19 3875/4885CYP2C9 3391/4885
US-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst GSTK1, GSTA1, GSTP1 ALDH1A1 281/4885CYP2C19 1576/4885CYP2C9 1774/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885CYP2C19 3893/4885CYP2C9 3517/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885CYP2C19 3893/4885CYP2C9 3517/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885CYP2C19 3893/4885CYP2C9 3517/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 ALDH1A1 1037/4885CYP2C19 3866/4885CYP2C9 3354/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 ALDH1A1 1936/4885CYP2C19 3175/4885CYP2C9 2685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.