SCHEMBL527043

SCHEMBL527043

Cc1cc(=O)c2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 1.00
GAA P10253 3/20 1.00
ALDH1A1 P00352 6/20 0.63
RXFP1 Q9HBX9 1/20 0.60
HPGD P15428 8/20 0.59
LMNA P02545 4/20 0.59
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
CTSV O60911 2/20 0.59
CTSL P07711 2/20 0.59
RAB9A P51151 1/20 0.59
CYP2C19 P33261 2/20 0.57
TNKS2 Q9H2K2 1/20 0.57
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 3/20 0.56
TUBB4A P04350 1/20 0.56
TP53 P04637 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56

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
SCHEMBL12724790 0.79 KDM4E (0.69) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL16442084 0.78 ALDH1A1 (0.72) CYP1A2GAAALDH1A1RXFP1HPGD
SCHEMBL4791757 0.78 ALDH1A1 (1.00) CYP1A2GAAALDH1A1RXFP1HPGD
SCHEMBL30374884 0.78 ALDH1A1 (1.00) CYP1A2GAAALDH1A1RXFP1HPGD
SCHEMBL4741376 0.75 GAA (0.60) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL18995263 0.75 CYP1A2 (0.60) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL30199901 0.75 GAA (0.60) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL7938807 0.75 CYP1A2 (0.60) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL7815453 0.75 CYP1A2 (0.60) CYP1A2GAAALDH1A1HPGDLMNA
SCHEMBL10070259 0.75 CYP1A2 (0.60) CYP1A2GAAALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
WO-2025077773-A1 NOVEL TYPE I TOPOISOMERASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2025-04-17 WO disclosed
US-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-01-04 US disclosed
EP-4204410-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research, an Indian registered body incorporated under the Registration of Societies Act (Act XXI of 1860) (IN) 2023-07-05 EP disclosed
CN-116377457-A Electrochemical synthesis method of halogenated quinoline-4 (1H) -ketone derivative 桂林理工大学 2023-07-04 CN disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
CN-115968368-A Quinolone compound and preparation method thereof 科学和工业研究理事会是印度注册的机构(1860年第XXI号法案) 2023-04-14 CN disclosed
WO-2022044033-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860)) (IN) 2022-03-03 WO disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0470794-A1 Process for the preparation of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed
US-4599345-A BACTERICIDES, FUNGICIDES ANTIINFLAMMATORY ALKALOIDE VEGYESZETI GYAR (HU) 1986-07-08 US disclosed
EP-0113432-A1 Chloromethyl quinoline derivatives, process for their preparation and their use ALKALOIDA VEGYéSZETI GYáR (HU) 1984-07-18 EP 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-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB CYP1A2 504/4885GAA 2895/4885ALDH1A1 304/4885
US-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF SQLE, NQO2, CYP1B1 CYP1A2 23/4885GAA 1292/4885ALDH1A1 1226/4885

“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.