SCHEMBL6044145

SCHEMBL6044145

O=C(O)c1ccc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.68
DOT1L Q8TEK3 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CASP6 P55212 1/20 0.54

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
SCHEMBL8265798 0.83 HCAR3 (0.61) HCAR3MEN1KMT2AALDH1A1MAPT
SCHEMBL4238591 0.81 HCAR3 (1.00) HCAR3MEN1KMT2ACASP6
SCHEMBL400483 0.79 HCAR3 (0.62) HCAR3MEN1KMT2AALDH1A1MAPT
SCHEMBL6043889 0.79 HCAR3 (1.00) HCAR3MEN1KMT2A
SCHEMBL6044265 0.79 HCAR3 (0.78) HCAR3ALDH1A1CASP6
SCHEMBL2338616 0.78 HCAR3 (1.00) HCAR3MEN1KMT2AALDH1A1MAPT
SCHEMBL6044169 0.78 HCAR3 (1.00) HCAR3MEN1KMT2A
SCHEMBL6044135 0.78 HCAR3 (1.00) HCAR3MEN1KMT2A
SCHEMBL2292537 0.77 HCAR3 (0.58) HCAR3KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2426051 0.76 HCAR3 (0.71) HCAR3MEN1KMT2ACASP6

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 85/4885DOT1L 4718/4885MEN1 4692/4885

“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.