SCHEMBL544932

SCHEMBL544932

COC(=O)c1ccc(-c2c(OC)cccc2OC)c(-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
MCHR1 Q99705 1/20 0.40
RORC P51449 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL544401 0.91 PDE4A (0.44) KDRMCHR1RORCTDP1THRA
SCHEMBL544911 0.83 ITGB1 (0.39) KDRMCHR1
Hydrochloric Acid SCHEMBL544338 0.83 ITGB1 (0.38) KDRMCHR1
SCHEMBL544895 0.82 PTGER1 (0.47) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL544335 0.79 KMO (0.41) KDRTDP1KDM4EMAPT
SCHEMBL543850 0.78 MAPT (0.36) KDRGAAKDM4ENPC1MAPT
SCHEMBL544240 0.76 KDM4E (0.41) KDRMCHR1TDP1KDM4EMAPT
SCHEMBL5637563 0.75 THRA (0.59) KDRTDP1THRATHRBGAA
SCHEMBL4041344 0.74 MRGPRX4 (0.55) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5637060 0.74 THRA (0.60) MCHR1THRATHRBMAPTKMT2A

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 KDR 429/4885MCHR1 496/4885RORC 3434/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 KDR 429/4885MCHR1 496/4885RORC 3434/4885

“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.