SCHEMBL6044949

SCHEMBL6044949

O=C(O)c1ccc(NC2CCC2)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 1.00
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
LMNA P02545 1/20 0.63
GPR55 Q9Y2T6 1/20 0.63
CASP6 P55212 1/20 0.55
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL6043899 0.97 HCAR3 (1.00) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL2030586 0.96 HCAR3 (0.97) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL5906517 0.94 HCAR3 (1.00) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL2687469 0.89 HCAR3 (0.84) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL5838082 0.87 HCAR3 (0.76) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL1725095 0.86 HCAR3 (0.80) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL4136830 0.86 HCAR3 (0.80) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL3497824 0.85 HCAR3 (0.78) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL24704181 0.84 HCAR3 (0.81) HCAR3KMT2AMEN1LMNAGPR55
SCHEMBL25782087 0.83 HCAR3 (0.74) HCAR3KMT2AMEN1LMNAGPR55

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 85/4885KMT2A 2238/4885MEN1 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.