SCHEMBL1045997

SCHEMBL1045997

CS(=O)(=O)c1ccc[c]c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.36
PTGS2 P35354 3/20 0.35
BCAT2 O15382 1/20 0.33
CCR2 P41597 3/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LOX P28300 1/20 0.30
ADRA1D P25100 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL7281196 0.79 CA2 (0.43) PTGS2LMNA
SCHEMBL691616 0.79 TTR (0.37)
SCHEMBL1045336 0.79 CA12 (0.41) ALDH1A1LMNACYP1A2L3MBTL1
SCHEMBL5790937 0.78 KDM4E (0.44) RAB9AKDM4EALDH1A1PTGS2CCR2
SCHEMBL3835232 0.77 L3MBTL1 (0.35) ALDH1A1HSD11B1PTGS2BCAT2L3MBTL1
SCHEMBL3057169 0.77 HSD11B1 (0.33) HSD11B1BCAT2L3MBTL1LOX
SCHEMBL6976387 0.77 BCAT2 (0.33) HSD11B1PTGS2BCAT2L3MBTL1LOX
SCHEMBL1967430 0.75 PTGS2 (0.32) RAB9AKDM4EALDH1A1PTGS2CCR2
SCHEMBL10967866 0.75 L3MBTL1 (0.38) BCAT2LMNAL3MBTL1LOX
SCHEMBL11567026 0.75 CA1 (0.34) BCAT2L3MBTL1LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 WO disclosed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 US disclosed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 WO disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 EP disclosed
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2018-09-20 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
EP-1992607-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND Japan Tobacco, Inc. (JP) 2008-11-19 EP disclosed
CN-100375742-C 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2008-03-19 CN disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 US disclosed
CN-1692101-A 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2005-11-02 CN disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 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 (8 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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 RAB9A 1929/4885KDM4E 165/4885ALDH1A1 784/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 RAB9A 3060/4885KDM4E 112/4885ALDH1A1 712/4885
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH RAB9A 4385/4885KDM4E 1104/4885ALDH1A1 329/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT RAB9A 2870/4885KDM4E 92/4885ALDH1A1 717/4885
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 RAB9A 2019/4885KDM4E 780/4885ALDH1A1 2769/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 RAB9A 3293/4885KDM4E 148/4885ALDH1A1 703/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP RAB9A 3543/4885KDM4E 187/4885ALDH1A1 571/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 RAB9A 2019/4885KDM4E 780/4885ALDH1A1 2769/4885

“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.