SCHEMBL1663313

SCHEMBL1663313

COc1cc(C(=O)O)c(N)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.51
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
HTT P42858 2/20 0.49
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 1/20 0.46
PKM P14618 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 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
SCHEMBL217191 0.93 KDM4E (0.53) KDM4EALDH1A1LCKFYNHTT
SCHEMBL85946 0.86 KDM4E (0.69) KDM4EALDH1A1LCKFYNHTT
SCHEMBL2189622 0.85 KDM4E (0.79) KDM4EALDH1A1HTTMAPTHPGD
SCHEMBL18669213 0.85 KDM4E (0.56) KDM4EALDH1A1LCKFYNHTT
SCHEMBL2890743 0.85 ALDH1A1 (0.59) KDM4EALDH1A1LCKFYNHTT
Hydrochloric Acid SCHEMBL5012089 0.85 KDM4E (0.67) KDM4EALDH1A1LCKFYNHTT
SCHEMBL29191828 0.84 LCK (0.57) KDM4EALDH1A1LCKFYNHTT
Nitrogen SCHEMBL28644623 0.83 KDM4E (0.65) KDM4EALDH1A1LCKFYNHTT
SCHEMBL14761140 0.82 HTT (0.57) KDM4EALDH1A1LCKFYNHTT
SCHEMBL3125277 0.81 KDM4E (0.53) KDM4EALDH1A1LCKFYNHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017050994-A1 DYE COMPOSITION USING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE PARTICULAR AMINOBENZENE COUPLER, PROCESSES AND DEVICE L'OREAL (FR) 2017-03-30 WO disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
CN-101570516-B Method for preparing 4-(3-chlorine-4-fluorophenylalanine)-7-methoxy-6-[3-(4-morpholinyl) propoxy] quinazoline CHONGQING WORLD HAORUI PHARM CHEM CO LTD 2011-01-05 CN disclosed
CN-101570516-A Method for preparing 4-(3-chlorine-4-fluorophenylalanine)-7-methoxy-6-[3-(4-morpholinyl) propoxy] quinazoline CHONGQING WORLD HAORUI PHARM C (CN) 2009-11-04 CN disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO 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 (1 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 KDM4E 2742/4885ALDH1A1 2499/4885LCK 397/4885

“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.