SCHEMBL6833877

SCHEMBL6833877

C=CCn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
ALB P02768 3/20 0.44
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CDK2 P24941 1/20 0.38
TRPA1 O75762 1/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
CCR2 P41597 2/20 0.37

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
SCHEMBL6833794 0.87 CNR2 (0.47) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6834081 0.86 CCR2 (0.55) CNR2ALBCCR2
SCHEMBL6834434 0.85 CNR2 (0.50) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6833868 0.85 SERPINE1 (0.48) HSD17B10KDM4ECCR2
SCHEMBL6834189 0.85 AKR1C2 (0.48) CNR2ALDH1A1TSHRHTTMEN1
SCHEMBL6833936 0.84 CNR2 (0.47) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6835700 0.83 CNR2 (0.48) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6834180 0.83 CNR2 (0.53) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6834137 0.83 CNR2 (0.52) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6830403 0.83 CNR2 (0.55) CNR2ALBALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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 (1 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CNR2 3495/4885ALB 1417/4885ALDH1A1 170/4885

“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.