SCHEMBL455746

SCHEMBL455746

CCOc1c[c]c(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PARP10 Q53GL7 1/20 0.37
RELA Q04206 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37

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
SCHEMBL3227349 0.84 LTA4H (0.44) TSHRLTA4HSMN1; SMN2CYP1A2CYP2D6
SCHEMBL3216650 0.84 LTA4H (0.43) TDP1LTA4HALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3226689 0.80 NR5A1 (0.51) TSHRLTA4HNPC1LMNARAB9A
SCHEMBL14814084 0.79 KDM4E (0.36) TDP1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2970309 0.77 NQO1 (0.54) NQO1TDP1TSHRLTA4HALDH1A1
SCHEMBL220772 0.77 NQO1 (0.54) NQO1TDP1TSHRLTA4HALDH1A1
SCHEMBL163245 0.76
SCHEMBL972114 0.75 NQO1 (0.52) NQO1TDP1TSHRLTA4HALDH1A1
SCHEMBL1979851 0.75 NQO1 (0.52) NQO1TDP1TSHRLTA4HALDH1A1
SCHEMBL7773846 0.75 NQO1 (0.52) NQO1TDP1TSHRLTA4HALDH1A1

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
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO claimed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
CN-116783187-A Preparation of tetrahydroindazole derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-09-19 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed
US-7816367-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-10-19 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-7649110-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-01-19 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. 2006-01-05 US disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (7 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 NQO1 616/4885TDP1 3878/4885TSHR 2282/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 NQO1 616/4885TDP1 3878/4885TSHR 2282/4885
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX NQO1 2649/4885TDP1 3566/4885TSHR 4380/4885
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 NQO1 234/4885TDP1 4204/4885TSHR 1884/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 NQO1 846/4885TDP1 4324/4885TSHR 2374/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 NQO1 234/4885TDP1 4204/4885TSHR 1884/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 NQO1 616/4885TDP1 3878/4885TSHR 2282/4885

“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.