SCHEMBL213270

SCHEMBL213270

Fc1cc2nc(S)[nH]c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CBFB Q13951 1/20 0.45
CYP11B2 P19099 1/20 0.41
PDE10A Q9Y233 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
F10 P00742 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HDAC11 Q96DB2 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL12963078 0.88 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14502996 0.84 MEN1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL211043 0.84 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL211044 0.84 MAPT (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18931234 0.80 EIF4A3 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8428958 0.80 AMY1A (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10846976 0.79 MAPT (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8977368 0.77 OPRL1 (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9528285 0.77 ATP4A (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8977372 0.77 GRIA1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124700-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2023-04-20 US disclosed
WO-2021074414-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2021-04-22 WO disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
US-8878165-B2 Electrode treatment process for organic electronic devices MERCK PATENT GMBH (DE) 2014-11-04 US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 WO disclosed
US-8518936-B2 Method for preparing acid addition salts of polyacidic basic compounds KOWA CO., LTD. (JP) 2013-08-27 US disclosed
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-20120319097-A1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-20 US disclosed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP disclosed
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP disclosed
US-5922720-A PHARMACEUTICAL FOR USE IN TREATMENT OF DISEASES BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-13 US disclosed
EP-0772611-A1 PIPERAZINE THIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed
WO-1996002534-A1 PIPERAZINE THIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
US-4950677-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-08-21 US disclosed
EP-0304624-A2 Benzimidazol-2-yl-pyridinum compounds F. HOFFMANN-LA ROCHE AG (CH) 1989-03-01 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 (3 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-20230124700-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CUL1, CUL5, CUL3 KDM4E 1471/4885ALDH1A1 1348/4885CYP1A2 1442/4885
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 KDM4E 2304/4885ALDH1A1 1503/4885CYP1A2 230/4885
US-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 KDM4E 588/4885ALDH1A1 687/4885CYP1A2 528/4885

“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.