SCHEMBL2033990

SCHEMBL2033990

c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 1.00
CYP11B2 P19099 12/20 1.00
CYP17A1 P05093 1/20 1.00
CYP19A1 P11511 8/20 0.79
CYP1A2 P05177 1/20 0.79
POLB P06746 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
MAPT P10636 1/20 0.79
TBXAS1 P24557 1/20 0.79
QPCT Q16769 1/20 0.79
CYP4Z1 Q86W10 1/20 0.79
QPCTL Q9NXS2 1/20 0.79
CYP2A6 P11509 1/20 0.66
CYP2B6 P20813 1/20 0.66

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
SCHEMBL2529997 0.93 CYP11B1 (0.86) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL414 0.89 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL22063900 0.89 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL29239318 0.87 CYP11B1 (0.96) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL16237308 0.87 CYP11B1 (0.96) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL31453527 0.87 CYP11B1 (0.96) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL3786782 0.87 CYP11B1 (0.96) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL411827 0.87 CYP11B1 (0.96) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL1024261 0.87 CYP11B1 (0.84) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
Benzylimidazole SCHEMBL27535101 0.86 CYP11B1 (0.86) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264753-A1 NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-10-18 US claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20120264753-A1 NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-10-18 US disclosed
US-20120264753-A1 NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-10-18 US disclosed
WO-2011077712-A1 NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME 興和株式会社 (JP) 2011-06-30 WO disclosed
US-20100304998-A1 Chemical Proteomic Assay for Optimizing Drug Binding to Target Proteins MARQUETTE UNIVERSITY (US) 2010-12-02 US disclosed
US-20100304998-A1 Chemical Proteomic Assay for Optimizing Drug Binding to Target Proteins MARQUETTE UNIVERSITY (US) 2010-12-02 US disclosed
CN-100453117-C Pharmaceutical compositions comprising selective I1 imidazoline receptor agonists and angiotensin II receptor blockers SOLVAY PHARM GMBH (DE) 2009-01-21 CN disclosed
CN-1859924-A Pharmaceutical composition comprising a selective i1 imidazoline receptor agonist and an angiotensin ii receptor blocker SOLVAY PHARM GMBH (DE) 2006-11-08 CN disclosed
US-20060167269-A1 Compounds and methods for the inhibition of compounds cruzi NATIONAL INSTITUTES OF HEALTH 2006-07-27 US disclosed
WO-2003006012-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF TRYPANOSOMA CRUZ I YALE UNIVERSITY (US) 2003-01-23 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 (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-20060167269-A1 Compounds and methods for the inhibition of compounds cruzi CBR3, CBR1, C1R CYP11B1 207/4885CYP11B2 320/4885CYP17A1 1868/4885
US-20120264753-A1 NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME PPARG, PPARD, PPARA CYP11B1 95/4885CYP11B2 152/4885CYP17A1 1715/4885

“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.