SCHEMBL6044296

SCHEMBL6044296

COc1ccc(CNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
HCAR3 P49019 7/20 0.63
HPGD P15428 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
AKR1C3 P42330 2/20 0.59
AKR1C2 P52895 2/20 0.59
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
AKR1C4 P17516 1/20 0.56
AKR1C1 Q04828 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
SCHEMBL14402 0.91 AKR1C3 (0.57) MAPTHCAR3HPGDKMT2AMEN1
SCHEMBL12004226 0.91 MAPT (0.56) MAPTHCAR3KMT2AMEN1LMNA
SCHEMBL9725390 0.89 MAPT (0.56) MAPTHCAR3HPGDKMT2AMEN1
SCHEMBL12061579 0.88 MAPT (0.54) MAPTHCAR3HPGDKMT2AMEN1
SCHEMBL6044113 0.88 MAPT (0.77) MAPTHCAR3HPGDKMT2AMEN1
SCHEMBL6044783 0.87 MAPT (0.67) MAPTHCAR3HPGDKMT2AMEN1
SCHEMBL992446 0.85 HCAR3 (0.68) MAPTHCAR3KMT2AMEN1LMNA
SCHEMBL5476932 0.84 FFAR1 (0.59) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL9683146 0.81 MAPT (0.57) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL28808881 0.81 MAPT (0.57) MAPTHPGDKMT2AMEN1LMNA

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 MAPT 3284/4885HCAR3 85/4885HPGD 382/4885

“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.