SCHEMBL570342

SCHEMBL570342

Clc1ccc(Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 1.00
CYP11B2 P19099 9/20 1.00
CYP19A1 P11511 5/20 1.00
CYP2A6 P11509 1/20 1.00
CYP2B6 P20813 1/20 1.00
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
MAPT P10636 1/20 0.69
TBXAS1 P24557 1/20 0.69
QPCT Q16769 1/20 0.69
CYP4Z1 Q86W10 1/20 0.69
QPCTL Q9NXS2 1/20 0.69
CYP17A1 P05093 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
SCHEMBL1024261 0.92 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Oxalic Acid SCHEMBL11534580 0.90 CYP19A1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.90 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2926364 0.87 CYP19A1 (0.78) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2930261 0.87 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11701053 0.86 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2529997 0.86 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6057476 0.86 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2729830 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2393534 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216315-A Flavones glyoxaline compound and preparation method thereof 盐城师范学院 2017-09-29 CN claimed
CN-104672145-B Glycalpyramide derivative and application thereof in preparing anticoccidial drug 广州英赛特生物技术有限公司 2017-04-12 CN claimed
US-20250214978-A1 AT2R AGONIST Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-07-03 US disclosed
EP-4506345-A1 AT2R AGONIST Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-02-12 EP disclosed
WO-2023235376-A1 PROCESS FOR PREPARING 1-(4-CHLOROBENZYL)-1H-IMIDAZOLE-4,5-DICARBOXAMIDE ZOETIS SERVICES LLC (US) 2023-12-07 WO disclosed
CN-116891464-A AT2R agonist 武汉人福创新药物研发中心有限公司 2023-10-17 CN disclosed
WO-2023193733-A1 AT2R AGONIST 武汉人福创新药物研发中心有限公司 2023-10-12 WO disclosed
CN-107216315-A Flavones glyoxaline compound and preparation method thereof 盐城师范学院 2017-09-29 CN disclosed
CN-106692138-A Application of N-benzylimidamide derivative as polymyxin antibiotic synergist 广州英赛特生物技术有限公司 2017-05-24 CN disclosed
CN-104672145-B Glycalpyramide derivative and application thereof in preparing anticoccidial drug 广州英赛特生物技术有限公司 2017-04-12 CN disclosed
US-8906943-B2 Synthetic compounds and methods to decrease nicotine self-administration HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2014-12-09 US disclosed
US-20120196905-A1 SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-08-02 US disclosed
WO-2012019093-A1 SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-09 WO disclosed
CN-102119240-A Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2011-07-06 CN disclosed
US-5100890-A Antidepressants, Fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0218118-B1 ARYLMETHYL AZOLES AND THEIR SALTS, METHOD FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
US-5023357-A Arylmethylazole preparation processes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4876354-A FUNGICIDES, ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0218118-A1 Arylmethyl azoles and their salts, method for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 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-20250214978-A1 AT2R AGONIST AGTR1, AGTR2, AVPR2 CYP11B1 113/4885CYP11B2 88/4885CYP19A1 2203/4885
US-20120196905-A1 SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION SLC6A3, NNT, SLC6A2 CYP11B1 1125/4885CYP11B2 1186/4885CYP19A1 4304/4885

“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.