SCHEMBL5030834

SCHEMBL5030834

CCCCNc1ccc(-c2cc3c(cc2C)OCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 7/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
USP2 O75604 3/20 0.39
CASP1 P29466 2/20 0.39
HBB P68871 2/20 0.39
GAA P10253 1/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 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
SCHEMBL5030711 0.85 RAB9A (0.41) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL5028453 0.82 RAB9A (0.39) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL11971670 0.78 MAPT (0.55) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL11365987 0.74 MAPT (0.54) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL8233425 0.73 RARB (0.46) RAB9AMAPTKMT2AKDM4EMEN1
SCHEMBL11971953 0.73 TRPV1 (0.53) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL30800856 0.72 MAPT (0.46) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL19035328 0.71 ALDH1A1 (0.41) RAB9AMAPTKDM4EALDH1A1LMNA
SCHEMBL12722842 0.71 PTGS2 (0.48) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL181559 0.70 MAPT (0.52) RAB9AMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 RAB9A 1203/4885NPC1 477/4885MAPT 2574/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 RAB9A 1203/4885NPC1 477/4885MAPT 2574/4885

“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.