SCHEMBL543850

SCHEMBL543850

CCOC(=O)c1ccc(-c2c(OC)cccc2OC)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
FYN P06241 1/20 0.36
RET P07949 1/20 0.35
KIF5B P33176 1/20 0.35
KDR P35968 1/20 0.35
ETV6 P41212 1/20 0.35
PAICS P22234 1/20 0.35
HTT P42858 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL544335 0.90 KMO (0.41) MAPTALDH1A1KDM4EMAPK1ATM
SCHEMBL543779 0.83 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL544463 0.81 LPAR1 (0.43) KDRPAICS
SCHEMBL544754 0.81 CTSA (0.41)
Bicarbonate SCHEMBL16493592 0.81 CNR1 (0.44) NPC1RAB9AATM
SCHEMBL544949 0.81 CTSA (0.44)
Bicarbonate SCHEMBL16493732 0.81 CNR1 (0.45) NPC1RAB9AATM
SCHEMBL545144 0.81 LPAR1 (0.45) KDRPAICS
SCHEMBL543342 0.81 CNR2 (0.37) KDRPAICS
SCHEMBL543341 0.81 CNR2 (0.37) KDRPAICS

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 MAPT 3323/4885NPC1 4043/4885RAB9A 2760/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 MAPT 3323/4885NPC1 4043/4885RAB9A 2760/4885

“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.