SCHEMBL6044103

SCHEMBL6044103

CC(C)(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 16/20 0.70
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CASP6 P55212 1/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 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
SCHEMBL17184409 0.85 VCAM1 (0.60) HCAR3KMT2AMAPT
SCHEMBL1466985 0.84 CDC25B (0.77) HCAR3MEN1KMT2AMAPT
SCHEMBL321911 0.83 HCAR3 (1.00) HCAR3MEN1KMT2ACASP6TSHR
Hydrochloric Acid SCHEMBL321637 0.81 HCAR3 (0.97) HCAR3MEN1KMT2ACASP6TSHR
SCHEMBL6044645 0.81 HCAR3 (0.72) HCAR3MEN1KMT2AMAPT
SCHEMBL3613079 0.80 HCAR3 (0.72) HCAR3MEN1KMT2ACASP6TSHR
SCHEMBL2426051 0.80 HCAR3 (0.71) HCAR3MEN1KMT2ACASP6TSHR
SCHEMBL751533 0.79 HCAR3 (0.62) HCAR3MEN1KMT2AMAPT
SCHEMBL4238591 0.79 HCAR3 (1.00) HCAR3MEN1KMT2ACASP6TSHR
SCHEMBL24032 0.79 HCAR3 (1.00) HCAR3MEN1KMT2ACASP6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853368-B2 Human antibodies against human glycoprotein VI and their use CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-10-07 US disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20060088531-A1 Human antibodies against human glycoprotein VI and their use CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-04-27 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 85/4885MEN1 4692/4885KMT2A 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.