SCHEMBL6328193

SCHEMBL6328193

OCCOc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.66
CYP19A1 P11511 9/20 0.64
CYP11B1 P15538 9/20 0.64
CYP11B2 P19099 8/20 0.64
CYP2A6 P11509 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP17A1 P05093 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
SCHEMBL8389054 0.85 CYP19A1 (0.68) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL20601860 0.83 TBXAS1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL10662504 0.82 CYP11B1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL11706257 0.81 KDM4E (0.68) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL11702473 0.81 CYP19A1 (0.80) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL6057478 0.80 CYP11B1 (0.68) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL8390116 0.80 TBXAS1 (0.65) TBXAS1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL1024261 0.80 CYP11B1 (0.84) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL10852178 0.79 TBXAS1 (1.00) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8390083 0.79 FNTA (0.64) TBXAS1CYP19A1CYP11B1CYP11B2CYP17A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958353-B2 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts HISAMITSU MEDICAL CO., LTD. (JP) 2005-10-25 US disclosed
US-20030207896-A1 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-11-06 US disclosed
EP-1295880-A1 IMIDAZOLE DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE DERIVATIVES OR THE SALTS SSP Co., Ltd. (JP) 2003-03-26 EP disclosed
US-4731370-A VASODILATOR, ANTICOAGULANT TOYAMA CHEMICAL CO., LTD. (JP) 1988-03-15 US disclosed
US-4713387-A Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester TOYAMA CHEMICAL CO., LTD. (JP) 1987-12-15 US 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-20030207896-A1 Imidazole derivatives or salts thereof and drugs containing the derivatives or the salts IL6, NOS1, NOS2 TBXAS1 626/4885CYP19A1 1205/4885CYP11B1 20/4885

“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.