SCHEMBL914296

SCHEMBL914296

Cc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.70
PDK2 Q15119 1/20 0.70
PDK3 Q15120 1/20 0.70
PDK4 Q16654 1/20 0.70
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HPGD P15428 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 2/20 0.55
ANO1 Q5XXA6 2/20 0.54
KDM4C Q9H3R0 1/20 0.54
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ANO2 Q9NQ90 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 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
Hydrochloric Acid SCHEMBL28203570 0.98 PDK1 (0.68) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL26623837 0.87 PDK1 (0.73) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6029980 0.85 PDK1 (0.53) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL397003 0.82 PDK1 (0.67) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL23885453 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL30254224 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL28846032 0.82 PDK1 (0.67) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL29980058 0.82 HPGD (0.54) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL3600530 0.81 L3MBTL1 (0.59) PDK1PDK2PDK3PDK4HPGD
SCHEMBL6349201 0.81 PDK1 (0.70) PDK1PDK2PDK3PDK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-2610247-B1 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LTD (BS) 2016-05-25 EP disclosed
EP-2610247-B1 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LTD (BS) 2016-05-25 EP disclosed
EP-2265589-B1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LTD (BS) 2016-01-27 EP disclosed
EP-2265589-B1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LTD (BS) 2016-01-27 EP disclosed
US-9126942-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2015-09-08 US disclosed
US-9126942-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2015-09-08 US disclosed
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LIMITED (BS) 2015-02-19 US disclosed
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LIMITED (BS) 2015-02-19 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007124345-A2 BETA-AMYLOID PET IMAGING AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-11-01 WO disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US disclosed
EP-1671945-A1 PROCESS FOR PRODUCTION OF 1-ARYL-5-(TRIFLUOROMETHYL)-1H- TETRAZOLES Toyo Kasei Kogyo Company Limited (JP) 2006-06-21 EP disclosed
EP-0213474-A2 Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-11 EP disclosed
US-4005199-A Substituted benzenesulfonamides as anthelmintics MERCK & CO., INC. (US) 1977-01-25 US disclosed
US-3987199-A PARASITICIDES MERCK & CO., INC. (US) 1976-10-19 US 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 (5 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 PDK1 938/4885PDK2 1240/4885PDK3 1283/4885
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 PDK1 2279/4885PDK2 784/4885PDK3 2145/4885
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH PDK1 3510/4885PDK2 1327/4885PDK3 2948/4885
US-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 PDK1 4424/4885PDK2 3189/4885PDK3 2815/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR PDK1 2357/4885PDK2 1573/4885PDK3 1596/4885

“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.