SCHEMBL544339

SCHEMBL544339

CCOc1ccc(Cl)c(-c2ccc(C(=O)OC)nc2-c2ccc(Cl)c(O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
EIF4E P06730 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL4038194 0.90 FFAR1 (0.48) FFAR1FFAR4KMT2AATMMEN1
SCHEMBL544355 0.83 NOTUM (0.40) FFAR1FFAR4KDM4ELMNAMAPT
SCHEMBL545109 0.79 HSD17B14 (0.40) KDM4ELMNAMAPTHTTTSHR
SCHEMBL912653 0.78 MRGPRX4 (0.38) CNR1SLC6A15
SCHEMBL27751941 0.78 EGFR (0.37) KMT2AMEN1NPC1RAB9ACNR1
SCHEMBL15304081 0.75 ALOX5 (0.43) KMT2AATMMAPTNPC1RAB9A
SCHEMBL543779 0.73 ALDH1A1 (0.43) MAPTHTTNPC1RAB9AEIF4E
SCHEMBL914548 0.71 NOTUM (0.45) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL544928 0.70 NOTUM (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL913698 0.69 NOTUM (0.45) KMT2AMEN1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 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 (2 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 FFAR1 235/4885FFAR4 277/4885KMT2A 2205/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 FFAR1 235/4885FFAR4 277/4885KMT2A 2205/4885

“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.