SCHEMBL1124274

SCHEMBL1124274

NC(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
HDAC3 O15379 1/20 0.66
ADAM17 P78536 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
CYP1A1 P04798 5/20 0.58
CYP1B1 Q16678 5/20 0.58
P4HB P07237 1/20 0.58
KDR P35968 1/20 0.57
MAOB P27338 7/20 0.56
MAOA P21397 3/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL1124278 1.00 CYP1A2 (0.72) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28129934 0.95 CYP1A2 (0.66) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL6845616 0.93 CYP1A2 (0.64) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL6845615 0.93 CYP1A2 (0.64) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL6845622 0.93 CYP1A2 (0.64) CYP1A2HDAC3ADAM17HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL25413105 0.93 CYP1A2 (0.64) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL10585882 0.87 CYP1A2 (0.61) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL25138745 0.87 CYP1A2 (0.61) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL31258594 0.84 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8781291 0.84 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920133-A (E) -4-methyl-2- (4- (trifluoromethyl) styryl) oxazole compound and preparation method and application thereof 中国医科大学 2021-06-08 CN claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO claimed
EP-1067113-B1 Process for the preparation of phenethylamines and intermediates therefor LANXESS DEUTSCHLAND GMBH (DE) 2005-07-20 EP claimed
CN-112920133-B (E) -4-methyl-2- (4- (trifluoromethyl) styryl) oxazole compound and preparation method and application thereof 中国医科大学 2022-09-16 CN disclosed
CN-112920133-A (E) -4-methyl-2- (4- (trifluoromethyl) styryl) oxazole compound and preparation method and application thereof 中国医科大学 2021-06-08 CN disclosed
US-9637473-B2 Acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-02 US disclosed
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
EP-2970217-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP disclosed
WO-2014141175-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 WO disclosed
US-6255528-B1 REACTING AN ALKYLFLUOROBROMOBENZENE OR FLUOROBROMOBENZENE WITH ACRYLAMIDE IN PRESENCE OF PALLADIUM CATALYST, HYDROGENATING THE RESULTING ARYLACRYLAMIDE, AND THEN REARRANGING IT LANXESS DEUTSCHLAND GMBH (DE) 2001-07-03 US disclosed
EP-1067113-A2 Process for the preparation of phenethylamines and intermediates therefor BAYER AG (DE) 2001-01-10 EP disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
CN-1049224-C Polymers as alignment layer ROLIC AG (CH) 2000-02-09 CN disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed
CN-1091458-A Polymkeric substance as oriented layer HOFFMANN LA ROCHE (CH) 1994-08-31 CN 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 (2 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 CYP1A2 1208/4885HDAC3 17/4885ADAM17 2908/4885
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS RECQL, ACR, ABCC3 CYP1A2 65/4885HDAC3 2407/4885ADAM17 3685/4885

“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.