SCHEMBL544534

SCHEMBL544534

COC(=O)c1ccc(O)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CTSA P10619 1/20 0.43
MCL1 Q07820 2/20 0.43
PTGER1 P34995 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
RHEB Q15382 1/20 0.41

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
SCHEMBL4036485 0.90 PTGER1 (0.47) NOTUMHPGDMGAMGAASI
SCHEMBL913698 0.90 NOTUM (0.45) NOTUMHPGDLMNAGAAALDH1A1
SCHEMBL544928 0.88 NOTUM (0.52) NOTUMHPGDCNR1MGAMGAA
SCHEMBL544584 0.86 NOTUM (0.51) NOTUMCNR1MGAMGAASI
SCHEMBL544645 0.86 NOTUM (0.49) NOTUMCNR1MGAMGAASI
SCHEMBL544620 0.85 NOTUM (0.50) NOTUMHPGDCNR1MGAMGAA
SCHEMBL544265 0.85 NOTUM (0.50) NOTUMHPGDLMNACNR1MGAM
SCHEMBL545186 0.85 NOTUM (0.53) NOTUMCNR1MGAMGAASI
SCHEMBL544470 0.85 MRGPRX4 (0.46) NOTUMHPGDLMNAMCL1MRGPRX4
SCHEMBL544290 0.85 NOTUM (0.53) NOTUMHPGDLMNACNR1MGAM

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 NOTUM 3247/4885HPGD 885/4885LMNA 1816/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885HPGD 885/4885LMNA 1816/4885

“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.