SCHEMBL976982

SCHEMBL976982

O=C(O)c1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 9/20 0.50
HSD17B10 Q99714 7/20 0.50
HPGD P15428 5/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
PDE3A Q14432 1/20 0.47
KMT2A Q03164 3/20 0.46

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
SCHEMBL4432486 0.88 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL2366561 0.84 ALDH1A1 (0.44) KDM4EALDH1A1ALOX15TSHRTDP1
SCHEMBL3665352 0.84 TSHR (0.40) KDM4EALDH1A1ALOX15TSHRTDP1
SCHEMBL3548983 0.84 IRAK4 (0.53) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL219675 0.83 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL29374906 0.83 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL15059150 0.81 MEN1 (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL22987944 0.80 CTSD (0.57) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL29646310 0.80 CTSD (0.57) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL2378290 0.80 YAP1 (0.40) KDM4EALDH1A1TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
CN-104039789-B Four azepines-cyclopenta [a] indenyl and the purposes as forward allosteric modulators thereof 默克专利股份有限公司 2016-09-07 CN disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 WO disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A KDM4E 3183/4885ALDH1A1 1037/4885HSD17B10 454/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R KDM4E 2856/4885ALDH1A1 1611/4885HSD17B10 540/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 KDM4E 1364/4885ALDH1A1 597/4885HSD17B10 3997/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A KDM4E 4452/4885ALDH1A1 1729/4885HSD17B10 2739/4885

“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.