SCHEMBL4764043

SCHEMBL4764043

NC(=O)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
TRPA1 O75762 2/20 0.43
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATR Q13535 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL9726223 0.84 FFAR4 (0.36) ALDH1A1ATRFFAR4
SCHEMBL29710998 0.84 ALOX5 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10687705 0.83 FFAR4 (0.36) ALDH1A1ATRFFAR4
SCHEMBL1256244 0.83 ALOX15 (0.40) ALDH1A1ATRFFAR4
Hydrochloric Acid SCHEMBL9235440 0.83 ALOX5 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL1902302 0.83 IDO1 (0.40) KDM4EALDH1A1ATRFFAR4
SCHEMBL29263829 0.82 ADORA2A (0.40) ALDH1A1MAPTATRFFAR4
SCHEMBL637798 0.80 PTPN1 (0.44) ATRFFAR4
SCHEMBL8952075 0.80 PLA2G2D (0.37) ATRFFAR4
SCHEMBL15690778 0.79 FFAR4 (0.38) PARP1TRPA1ATRFFAR4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP claimed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 WO claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
EP-0198797-A2 Parasiticide CIBA-GEIGY AG (CH) 1986-10-22 EP claimed
CN-116730995-B Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-25 CN disclosed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 CN disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
CN-114634512-A Compound as Bruton's tyrosine kinase inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-17 CN disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed
EP-0198797-B1 PARASITICIDE CIBA-GEIGY AG (CH) 1990-01-31 EP disclosed
US-4859783-A INTERMEDIATE FOR PESTICIDES CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
US-4722935-A 2,2-DIFLUORO-4-(2*,4*-DINITRO-6*-TRIFLUOROMETHYLANILINO)-1, 3-BENZODIOXOLE CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed
EP-0198797-A2 Parasiticide CIBA-GEIGY AG (CH) 1986-10-22 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 (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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 PARP1 2047/4885TRPA1 1809/4885CYP11B1 30/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 PARP1 4138/4885TRPA1 4408/4885CYP11B1 4028/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PARP1 4579/4885TRPA1 4407/4885CYP11B1 4515/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 PARP1 4583/4885TRPA1 4408/4885CYP11B1 4525/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 PARP1 4650/4885TRPA1 4192/4885CYP11B1 4317/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PARP1 4594/4885TRPA1 4388/4885CYP11B1 4543/4885

“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.