SCHEMBL4492287

SCHEMBL4492287

O=C(O)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.75
TBXAS1 P24557 10/20 0.74
CYP11B1 P15538 4/20 0.65
CYP11B2 P19099 4/20 0.65
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP2A6 P11509 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP17A1 P05093 1/20 0.61

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
Hydrochloric Acid SCHEMBL9853939 0.98 CYP19A1 (0.73) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL4701021 0.87 CYP19A1 (0.70) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL12639833 0.85 CYP19A1 (0.68) CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6
SCHEMBL6302514 0.85 CYP19A1 (0.68) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL10531228 0.85 TBXAS1 (1.00) CYP19A1TBXAS1
SCHEMBL11165819 0.85 CYP19A1 (0.60) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL10671782 0.84 TBXAS1 (0.97) CYP19A1TBXAS1
SCHEMBL1024261 0.84 CYP11B1 (0.84) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL29239316 0.83 TBXAS1 (0.72) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL10999087 0.83 TBXAS1 (0.72) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed
CN-110799500-B Degradable imidazolium oligomers and polymers for antimicrobial applications 新加坡科技研究局 2023-10-03 CN disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-23 US disclosed
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-23 US disclosed
EP-3060552-B1 1,3-DIPOLAR COMPOUND BEARING AN IMIDAZOLE FUNCTION AND PROCESS FOR MODIFYING AN UNSATURATED POLYMER BY GRAFTING MICHELIN & CIE (FR) 2020-12-02 EP disclosed
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-11 US disclosed
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-11 US disclosed
EP-3621955-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS Agency for Science, Technology and Research (SG) 2020-03-18 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 US disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 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 (4 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CYP19A1 296/4885TBXAS1 196/4885CYP11B1 97/4885
US-10927100-B2 Degradable imidazolium oligomer and polymer for antimicrobial applications NOD2, CFTR, PUF60 CYP19A1 4646/4885TBXAS1 2982/4885CYP11B1 3790/4885
US-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 CYP19A1 697/4885TBXAS1 1958/4885CYP11B1 1127/4885
US-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications NOD2, CFTR, PUF60 CYP19A1 4646/4885TBXAS1 2982/4885CYP11B1 3790/4885

“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.