SCHEMBL6044262

SCHEMBL6044262

O=C(O)c1cc(Cl)c2c(c1)nnn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.58
GAA P10253 3/20 0.41
RXFP1 Q9HBX9 2/20 0.39
TTR P02766 1/20 0.39
GALK1 P51570 1/20 0.37
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6044800 0.94 HCAR3 (0.60) HCAR3GAARXFP1TTRGALK1
SCHEMBL6044172 0.83 HCAR3 (0.58) HCAR3GAARXFP1GALK1ALDH1A1
SCHEMBL6044613 0.78 HCAR3 (0.60) HCAR3GAARXFP1GALK1ALDH1A1
SCHEMBL6043957 0.74 HCAR3 (1.00) HCAR3GAARXFP1GALK1TP53
SCHEMBL6043674 0.71 HCAR3 (0.58) HCAR3GAARXFP1GALK1MGAM
SCHEMBL6044966 0.71 HCAR3 (0.48) HCAR3GAAALDH1A1TSHR
SCHEMBL29490305 0.71 HCAR3 (0.78) HCAR3GAARXFP1GALK1ALDH1A1
SCHEMBL22862503 0.71 HCAR3 (0.78) HCAR3GAARXFP1GALK1ALDH1A1
SCHEMBL6044765 0.69 HCAR3 (0.41) HCAR3GAATTRMGAMAMY1A
SCHEMBL6044413 0.69 HCAR3 (0.44) HCAR3TTRTSHR

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 2 patents. 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 disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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 (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 85/4885GAA 70/4885RXFP1 329/4885

“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.