SCHEMBL6044783

SCHEMBL6044783

COc1cccc(CNc2ccc(C(=O)O)cc2[N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
HPGD P15428 3/20 0.67
HCAR3 P49019 5/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
AKR1C3 P42330 2/20 0.58
AKR1C2 P52895 2/20 0.58
AKR1B10 O60218 1/20 0.58
AKR1B1 P15121 1/20 0.58
AKR1C4 P17516 1/20 0.58
AKR1C1 Q04828 1/20 0.58
SMN1; SMN2 Q16637 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
SCHEMBL31072813 0.91 MAPT (0.59) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL29342739 0.91 MAPT (0.59) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL6043895 0.89 MAPT (0.72) MAPTHPGDHCAR3MEN1KMT2A
SCHEMBL6044296 0.87 MAPT (0.69) MAPTHPGDHCAR3MEN1KMT2A
SCHEMBL992446 0.84 HCAR3 (0.68) MAPTHCAR3MEN1KMT2ALMNA
SCHEMBL3647165 0.83 MAPT (0.66) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL1180504 0.82 MAPT (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7378996 0.81 ALDH1A1 (0.57) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL2130528 0.81 MAPT (0.60) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3647912 0.80 MAPT (0.65) MAPTHPGDMEN1KMT2AALDH1A1

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 3284/4885HPGD 382/4885HCAR3 85/4885

“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.