SCHEMBL946905

SCHEMBL946905

Cn1nc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALOX5 P09917 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 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
SCHEMBL17493311 0.83 KMT2A (0.34) KMT2AKDM4E
SCHEMBL21653347 0.80 GRN (0.50) NPC1KDM4ELMNA
SCHEMBL16487838 0.77 PTGS1 (0.51) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL2611106 0.76 PKM (0.45) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL938217 0.76 RAB9A (0.40) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL365942 0.76 RAB9A (0.40) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL3279759 0.76 KDM4E (0.42) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL21720871 0.75 PTGS2 (0.37) KMT2APTGS2PTGS1KDM4ELMNA
SCHEMBL757069 0.75 RAB9A (0.47) KMT2APTGS2PTGS1RAB9ANPC1
SCHEMBL1463361 0.74 HDAC3 (0.41) KMT2APTGS2PTGS1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951663-B Containing replacing the pyrazole amide of 1,3,4-thiadiazoles thioether and pyrazole imine analog derivative and preparation method and application 贵州大学 2016-08-17 CN claimed
US-20180215713-A1 AMINOBENZAMIDE DERIVATIVES AS USEFUL AGENTS FOR CONTROLLING ANIMAL PARASITES VIRBAC (FR) 2018-08-02 US disclosed
US-9944604-B2 Aminobenzamide derivatives as useful agents for controlling animal parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-17 US disclosed
EP-3181558-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-06-21 EP disclosed
US-9670192-B2 Substituted isoxazole derivatives BASF SE (DE) 2017-06-06 US disclosed
CN-103951663-B Containing replacing the pyrazole amide of 1,3,4-thiadiazoles thioether and pyrazole imine analog derivative and preparation method and application 贵州大学 2016-08-17 CN disclosed
US-20160096829-A1 Substituted Isoxazole Derivatives BASF SE (DE) 2016-04-07 US disclosed
US-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-12-10 US disclosed
US-20150351399-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-12-10 US disclosed
CN-103613583-B 1,3-substituting group-4-substituted pyrazolecarboxylic acylhydrazone and its preparation method and application GUIZHOU UNIVERSITY (CN) 2015-12-02 CN disclosed
CN-101273009-B Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG 2012-09-05 CN disclosed
US-20120214851-A1 Aminobenzamide Derivatives as Useful Agents for Controlling Animal Parasites BAYER CROPSCIENCE AG (DE) 2012-08-23 US disclosed
US-7964735-B2 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2011-06-21 US disclosed
US-20110009457-A1 Aminobenzamide Derivatives as Useful Agents for Controlling Animal Parasistes BAYER CROPSCIENCE AG (DE) 2011-01-13 US disclosed
CN-101903350-A Aminobenzamide derivatives as useful agents for controlling animal parasites BAYER CROPSCIENCE AG 2010-12-01 CN disclosed
EP-2225206-A2 AMINOBENZAMIDE DERIVATIVES AS USEFUL AGENTS FOR CONTROLLING ANIMAL PARASITES Bayer CropScience Aktiengesellschaft (DE) 2010-09-08 EP disclosed
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
WO-2009080203-A2 AMINOBENZAMIDE DERIVATIVES AS USEFUL AGENTS FOR CONTROLLING ANIMAL PARASITES BAYER CROPSCIENCE AG (DE) 2009-07-02 WO disclosed
EP-2072501-A1 Aminobenzamide derivatives as useful agents for controlling animal parasites Bayer CropScience AG (DE) 2009-06-24 EP disclosed
CN-101273009-A Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2008-09-24 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 (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-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS CYP1B1, CYP4B1, COX4I1 KMT2A 2322/4885PTGS2 1160/4885PTGS1 724/4885
US-20180215713-A1 AMINOBENZAMIDE DERIVATIVES AS USEFUL AGENTS FOR CONTROLLING ANIMAL PARASITES AADAT, PIGS, SLC1A5 KMT2A 166/4885PTGS2 519/4885PTGS1 747/4885
US-20110009457-A1 Aminobenzamide Derivatives as Useful Agents for Controlling Animal Parasistes PIGS, AADAT, PIGT KMT2A 252/4885PTGS2 1066/4885PTGS1 939/4885
US-20120214851-A1 Aminobenzamide Derivatives as Useful Agents for Controlling Animal Parasites AADAT, PIGS, SLC1A5 KMT2A 166/4885PTGS2 519/4885PTGS1 747/4885
US-20160096829-A1 Substituted Isoxazole Derivatives COX4I1, CYP4X1, TBXA2R KMT2A 2529/4885PTGS2 1071/4885PTGS1 1372/4885
US-20150351399-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS CYP4B1, CYP1B1, CYP3A4 KMT2A 2242/4885PTGS2 1125/4885PTGS1 703/4885
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides CBR3, AADAC, DDT KMT2A 1245/4885PTGS2 3905/4885PTGS1 4123/4885

“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.