SCHEMBL532592

SCHEMBL532592

c1ccc(COCn2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.61
CYP11B2 P19099 6/20 0.61
CYP19A1 P11511 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
TBXAS1 P24557 2/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61
HMOX1 P09601 1/20 0.55
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP17A1 P05093 1/20 0.50
LTA4H P09960 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL14027194 0.83 TBXAS1 (0.62) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL30022856 0.83 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL30023445 0.81 TBXAS1 (0.66) CYP11B1CYP19A1TBXAS1KMT2A
SCHEMBL9271695 0.79 HMOX1 (0.41) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL30023008 0.78 ALDH1A1 (0.50) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL5803076 0.77 TSHR (0.58) POLBLTA4H
SCHEMBL10649611 0.77 POLB (0.56) CYP1A2CYP3A4CYP2D6TBXAS1POLB
SCHEMBL10725247 0.77 POLB (0.56) CYP1A2CYP3A4CYP2D6TBXAS1POLB
Benzylimidazole SCHEMBL414 0.76 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL22063900 0.76 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160313-A 2-phenylimidazole [1,2-a ] pyridine compound, composition containing same and application of two compounds 中国药科大学 2022-10-11 CN disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0341481-A1 N-heterocyclic alcohol derivatives E.R. Squibb & Sons, Inc. (US) 1989-11-15 EP disclosed
EP-0337295-A2 Renin-inhibiting N-heterocyclic dipeptides E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP disclosed
US-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 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 (2 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP CYP11B1 370/4885CYP11B2 569/4885CYP19A1 543/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CYP11B1 370/4885CYP11B2 569/4885CYP19A1 543/4885

“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.