SCHEMBL701594

SCHEMBL701594

Cc1cc([N+](=O)[O-])ccc1N1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.47
LMNA P02545 4/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 5/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL29978606 1.00 MAPT (0.57) MAPTMEN1KMT2AKDM4ETAS1R3
SCHEMBL398803 0.80 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30410222 0.80 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11278452 0.78 ALDH1A1 (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7049102 0.78 GAA (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL242441 0.78 GAA (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6221391 0.78 GAA (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27927171 0.77 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10126840 0.76 SIGMAR1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1366449 0.76 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9091686-B2 Chimeric T1R taste receptor polypeptides and nucleic acid sequences encoding and cell lines that express said chimeric T1R polypeptides SENOMYX, INC. (US) 2015-07-28 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-8846326-B2 2014-09-30 US disclosed
US-20130336892-A1 CHIMERIC T1R TASTE RECEPTOR POLYPEPTIDES AND NUCLEIC ACID SEQUENCES ENCODING AND CELL LINES THAT EXPRESS SAID CHIMERIC T1R POLYPEPTIDES SENOMYX, INC. (US) 2013-12-19 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-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
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 (4 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 MAPT 374/4885MEN1 1297/4885KMT2A 1502/4885
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 MAPT 527/4885MEN1 1672/4885KMT2A 1575/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 MAPT 527/4885MEN1 1672/4885KMT2A 1575/4885
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 MAPT 960/4885MEN1 2236/4885KMT2A 833/4885

“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.