SCHEMBL705490

SCHEMBL705490

Cc1cc(C)c2c(c1)C(=NO)CCC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
MAPT P10636 2/20 0.46
UGT2B17 O75795 2/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL705489 1.00 SMN1; SMN2 (0.57) SMN1; SMN2TSHRGAATDP1LMNA
SCHEMBL9015429 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TSHRGAATDP1LMNA
SCHEMBL9015425 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TSHRGAATDP1LMNA
SCHEMBL9252736 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRGAALMNAALDH1A1
SCHEMBL9252741 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRGAALMNAALDH1A1
SCHEMBL6799189 0.75 SMN1; SMN2 (0.46) SMN1; SMN2GAATDP1LMNAALDH1A1
SCHEMBL7886426 0.74 HPGD (0.50) SMN1; SMN2TSHRLMNAKDM4EKMT2A
SCHEMBL7886428 0.74 HPGD (0.50) SMN1; SMN2TSHRLMNAKDM4EKMT2A
SCHEMBL5466822 0.73 L3MBTL1 (0.53) SMN1; SMN2TSHRGAATDP1LMNA
SCHEMBL5272128 0.73 L3MBTL1 (0.53) SMN1; SMN2TSHRGAATDP1LMNA

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 25 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-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 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-7169773-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-30 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20060003991-A1 Compounds SZEWCZYK JERZY R 2006-01-05 US disclosed
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO 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 (10 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 SMN1; SMN2 2606/4885TSHR 2052/4885GAA 1046/4885
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 SMN1; SMN2 2560/4885TSHR 2128/4885GAA 1180/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 SMN1; SMN2 2437/4885TSHR 101/4885GAA 3884/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 SMN1; SMN2 2568/4885TSHR 2102/4885GAA 1084/4885
US-20060003991-A1 Compounds SLC10A1, SLC10A2, ABCB11 SMN1; SMN2 2365/4885TSHR 2990/4885GAA 567/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 SMN1; SMN2 2606/4885TSHR 2052/4885GAA 1046/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 SMN1; SMN2 2560/4885TSHR 2128/4885GAA 1180/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 SMN1; SMN2 2560/4885TSHR 2128/4885GAA 1180/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 SMN1; SMN2 2642/4885TSHR 2101/4885GAA 1043/4885
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 SMN1; SMN2 3009/4885TSHR 2597/4885GAA 2461/4885

“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.