SCHEMBL9538845

SCHEMBL9538845

Cc1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
CYP2A6 P11509 3/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
PGR P06401 1/20 0.48
MAPT P10636 3/20 0.46
DPP4 P27487 1/20 0.46
PRF1 P14222 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.40

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
SCHEMBL30862485 0.90 APP (0.70) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL32679340 0.90 APP (0.47) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL29036191 0.90 APP (0.70) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL3367944 0.87 APP (0.76) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL13267724 0.83 ESRRG (0.41) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL7010956 0.82 CYP2A6 (0.54) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL1134019 0.80 APP (0.54) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL7905308 0.80 APP (0.68) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL1133684 0.80 APP (0.54) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL1133819 0.80 APP (0.54) APPCYP2A6CYP2E1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
CN-106279132-B 2, 4-imidazoline diketone heterocyclic derivative and preparation method and application thereof 四川大学华西医院 2019-11-26 CN disclosed
US-10456379-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-10-29 US disclosed
CN-105669660-B Nitrogen-containing heterocycle compound and application thereof 华东理工大学 2019-07-19 CN disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
CN-107033095-B The Oxazolidinone derivative of the structure of hydrazone containing piperazine 沈阳红旗制药有限公司 2019-05-07 CN disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-20140202537-A1 DYE-SENSITIZED SOLAR CELL AND SENSITIZING DYE NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2014-07-24 US disclosed
US-20120283449-A1 METHOD FOR CARRYING OUT SEQUENTIAL REACTIONS USING A HEATING MEDIUM HEATED BY MEANS OF INDUCTION FRIESE CARSTEN (DE) 2012-11-08 US disclosed
US-20120248428-A1 THIENOPYRAZINE COMPOUND AND FIELD EFFECT TRANSISTOR CONTAINING THE SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-10-04 US disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 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 (10 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-20120248428-A1 THIENOPYRAZINE COMPOUND AND FIELD EFFECT TRANSISTOR CONTAINING THE SAME NR3C2, NR3C1, ADRB2 APP 1795/4885CYP2A6 1356/4885CYP2E1 251/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 APP 3849/4885CYP2A6 3404/4885CYP2E1 2133/4885
US-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 APP 3849/4885CYP2A6 3404/4885CYP2E1 2133/4885
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA APP 647/4885CYP2A6 1800/4885CYP2E1 2379/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 APP 403/4885CYP2A6 3123/4885CYP2E1 4127/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 APP 4197/4885CYP2A6 571/4885CYP2E1 387/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 APP 3849/4885CYP2A6 3404/4885CYP2E1 2133/4885
US-20120283449-A1 METHOD FOR CARRYING OUT SEQUENTIAL REACTIONS USING A HEATING MEDIUM HEATED BY MEANS OF INDUCTION HSF1, MYD88, HSPA2 APP 1235/4885CYP2A6 74/4885CYP2E1 8/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH APP 3329/4885CYP2A6 752/4885CYP2E1 166/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 APP 3254/4885CYP2A6 506/4885CYP2E1 99/4885

“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.