SCHEMBL6044645

SCHEMBL6044645

CC(C)(C)CNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 0.72
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL24032 0.84 HCAR3 (1.00) HCAR3MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1602524 0.83 HCAR3 (0.97) HCAR3MAPTKMT2AMEN1
SCHEMBL2688335 0.82 HCAR3 (1.00) HCAR3MAPTKMT2AMEN1
SCHEMBL6044103 0.81 HCAR3 (0.70) HCAR3MAPTKMT2AMEN1
SCHEMBL1066375 0.80 HCAR3 (0.77) HCAR3MAPTKMT2A
SCHEMBL6044176 0.80 HCAR3 (1.00) HCAR3MAPTKMT2A
SCHEMBL321911 0.79 HCAR3 (1.00) HCAR3KMT2AMEN1
SCHEMBL31555875 0.79 HCAR3 (0.75) HCAR3MAPTKMT2A
SCHEMBL27077338 0.79 HCAR3 (0.75) HCAR3MAPTKMT2A
SCHEMBL6043949 0.78 HCAR3 (1.00) HCAR3MAPTKMT2AMEN1

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 85/4885MAPT 3284/4885KMT2A 2238/4885

“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.