SCHEMBL6044265

SCHEMBL6044265

O=C(O)c1ccc(NC(CO)CO)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 17/20 0.78
ALDH1A1 P00352 2/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.56
CASP6 P55212 1/20 0.55

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
SCHEMBL6044135 0.87 HCAR3 (1.00) HCAR3
SCHEMBL4238591 0.82 HCAR3 (1.00) HCAR3CASP6
SCHEMBL6044169 0.82 HCAR3 (1.00) HCAR3
SCHEMBL6043889 0.80 HCAR3 (1.00) HCAR3
SCHEMBL15205946 0.79 HCAR3 (0.50) HCAR3ALDH1A1GAA
SCHEMBL6044145 0.79 HCAR3 (0.68) HCAR3ALDH1A1CASP6
SCHEMBL1066375 0.78 HCAR3 (0.77) HCAR3ALDH1A1
SCHEMBL6044279 0.78 HCAR3 (1.00) HCAR3ALDH1A1GAA
SCHEMBL321911 0.77 HCAR3 (1.00) HCAR3CASP6
SCHEMBL2426051 0.77 HCAR3 (0.71) HCAR3CASP6

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 85/4885ALDH1A1 607/4885RECQL 2040/4885

“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.