SCHEMBL6043802

SCHEMBL6043802

COc1cccc(CCn2nnc3cc(C(=O)O)ccc32)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.80
THRB P10828 1/20 0.50
PLA2G4A P47712 1/20 0.48
ALPG P10696 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
PTGER4 P35408 2/20 0.47
PTGER2 P43116 2/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6043919 0.89 HCAR3 (1.00) HCAR3THRBPTGER4
SCHEMBL6044299 0.88 HCAR3 (0.67) HCAR3PLA2G4AMAPT
SCHEMBL6044721 0.82 HCAR3 (0.66) HCAR3THRBPTGER4CSNK2A2CSNK2A1
SCHEMBL6044668 0.78 HCAR3 (0.77) HCAR3PLA2G4AMAPT
SCHEMBL6044486 0.78 HCAR3 (1.00) HCAR3PLA2G4AMAPTPTGER4
SCHEMBL6044508 0.76 HCAR3 (1.00) HCAR3PLA2G4A
SCHEMBL6685414 0.76 HCAR3 (0.85) HCAR3PLA2G4AMAPTPTGER4
SCHEMBL6044303 0.75 HCAR3 (1.00) HCAR3
SCHEMBL28544878 0.74 HCAR3 (0.67) HCAR3PLA2G4ASMN1; SMN2MAPT
SCHEMBL6044071 0.74 HCAR3 (1.00) HCAR3PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed

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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885THRB 1744/4885PLA2G4A 1645/4885

“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.