SCHEMBL103539

SCHEMBL103539

COc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
NFE2L2 Q16236 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
PTGS1 P23219 1/20 0.33
NQO2 P16083 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
AHR P35869 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CFTR P13569 1/20 0.32
KIF11 P52732 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL193787 0.84
SCHEMBL2649760 0.82 L3MBTL1 (0.49) L3MBTL1RAB9AMAPTNPSR1AHR
SCHEMBL2890568 0.82 PDE2A (0.35)
SCHEMBL161106 0.81 TSHR (0.36) SMN1; SMN2TSHRL3MBTL1RAB9AMAPT
SCHEMBL27633569 0.80 KIF11 (0.30) KIF11
SCHEMBL3278322 0.79 SMN1; SMN2 (0.44) ACHESMN1; SMN2TSHRNFE2L2L3MBTL1
SCHEMBL1068362 0.79 TRPV1 (0.33) TSHRKIF11IDO1ALDH1A1
SCHEMBL17046378 0.79 CYP3A4 (0.35) MAPTNPSR1ALDH1A1
SCHEMBL7776062 0.79 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1MAPTNPSR1LMNA
SCHEMBL15010621 0.78 HTT (0.42) SMN1; SMN2TSHRMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN claimed
CN-107879975-B Histone deacetylase inhibitor and application thereof 中国科学院上海药物研究所 2022-07-26 CN claimed
EP-2984089-B1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2022-03-09 EP claimed
US-11019820-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2021-06-01 US claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP claimed
US-20180007905-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests BASF SE (DE) 2018-01-11 US claimed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP claimed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP claimed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 WO claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US claimed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
US-5686615-A HYDROGENATION OF A PYRIDINE COMPOUND IN THE PRESENCE OF A METAL CATALYST PFIZER INC (US) 1997-11-11 US claimed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 EP claimed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 ACHE 721/4885SMN1; SMN2 2210/4885TSHR 318/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ACHE 2956/4885SMN1; SMN2 3274/4885TSHR 2186/4885
US-11019820-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests THOP1, PRDX2, PRDX1 ACHE 110/4885SMN1; SMN2 1373/4885TSHR 530/4885
US-20180007905-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests THOP1, PRDX2, PRDX1 ACHE 110/4885SMN1; SMN2 1373/4885TSHR 530/4885
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma HGF, MET, HGFAC ACHE 1942/4885SMN1; SMN2 2673/4885TSHR 3705/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 ACHE 721/4885SMN1; SMN2 2210/4885TSHR 318/4885

“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.