SCHEMBL6044071

SCHEMBL6044071

CCCCn1nnc2cc(C(=O)O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 1.00
SLC9A1 P19634 4/20 0.56
PLA2G4A P47712 1/20 0.56
HPGD P15428 1/20 0.55
HCAR2 Q8TDS4 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
SCHEMBL6044256 0.96 HCAR3 (1.00) HCAR3SLC9A1PLA2G4AHPGDHCAR2
SCHEMBL6043651 0.95 HCAR3 (0.97) HCAR3SLC9A1PLA2G4AHPGDHCAR2
SCHEMBL6044508 0.92 HCAR3 (1.00) HCAR3SLC9A1PLA2G4AHPGDHCAR2
SCHEMBL6044288 0.87 HCAR3 (0.78) HCAR3PLA2G4AHPGDHCAR2
SCHEMBL15555892 0.86 HCAR3 (0.76) HCAR3HPGDHCAR2
SCHEMBL6044058 0.85 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6044277 0.85 HCAR3 (0.74) HCAR3PLA2G4AHPGDHCAR2
SCHEMBL6685414 0.85 HCAR3 (0.85) HCAR3PLA2G4AHPGDHCAR2
SCHEMBL6043994 0.83 HCAR3 (0.71) HCAR3PLA2G4AHPGDHCAR2
SCHEMBL29897702 0.83 HCAR3 (0.71) HCAR3PLA2G4AHPGDHCAR2

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 10 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 claimed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO claimed
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
CN-1022184-C Process for preparing (1 H-imidzol-1-ylmethyl) substituted benzotriazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1993-09-22 CN disclosed
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
CN-88103408-A Process for preparing (1H-oxazol-1-ylmethyl) substituted benzotriazole derivatives 1988-12-14 CN disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP 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 85/4885SLC9A1 2649/4885PLA2G4A 1645/4885

“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.