SCHEMBL3625952

SCHEMBL3625952

CSc1ccc(NC(C)=O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 1/20 0.46
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL31500548 0.89 CA1 (0.50) CA1CA2CA9HPGDSMN1; SMN2
SCHEMBL3618880 0.82 CA1 (0.50) CA1CA2CA9HPGDSMN1; SMN2
SCHEMBL3625424 0.81 CA1 (0.49) CA1CA2CA9HSD17B10KMT2A
SCHEMBL11228850 0.81 ALDH1A1 (0.51) CA1CA2CA9HPGDSMN1; SMN2
SCHEMBL11007887 0.81 TRPV1 (0.61) SMN1; SMN2HSD17B10KMT2AKDM4EMAPT
SCHEMBL3626340 0.79 HDAC1 (0.55) CA1CA2CA9SMN1; SMN2HSD17B10
SCHEMBL6996161 0.79 CA1 (0.55) CA1CA2CA9SMN1; SMN2HSD17B10
SCHEMBL29822237 0.78 KDM4E (0.66) CA1CA2CA9HPGDSMN1; SMN2
SCHEMBL4311940 0.78 KDM4E (0.66) CA1CA2CA9HPGDSMN1; SMN2
SCHEMBL9400181 0.78 RAB9A (0.63) CA1CA2CA9SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
EP-2174929-B1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL CO (JP) 2013-03-27 EP disclosed
EP-2174929-B1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL CO (JP) 2013-03-27 EP disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
EP-2174929-A1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP disclosed
EP-2174929-A1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE Sumitomo Chemical Company, Limited (JP) 2010-04-14 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 (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-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 CA1 3968/4885CA2 3482/4885CA9 1786/4885
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 CA1 3968/4885CA2 3482/4885CA9 1786/4885

“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.