SCHEMBL3628830

SCHEMBL3628830

Nc1ccc(SC(Cl)(Cl)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 5/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 5/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
PDE7A Q13946 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 2/20 0.33
ACHE P22303 1/20 0.33
CA3 P07451 1/20 0.33
THRB P10828 1/20 0.33
CA6 P23280 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8779804 0.86 KDM4E (0.38) ALDH1A1TDP1KDM4E
SCHEMBL11298765 0.82 ALDH1A1 (0.70) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL25118394 0.77 ALDH1A1 (0.61) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL656930 0.74 ALDH1A1 (1.00) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL7938138 0.74 ALDH1A1 (0.36) ALDH1A1TDP1KDM4ETSHRMEN1
SCHEMBL8486201 0.74 IDO1 (0.39) ALDH1A1TDP1KDM4E
SCHEMBL3046643 0.74 ALDH1A1 (0.58) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL7940598 0.74 NR1H2 (0.50) ALDH1A1TDP1KDM4ECYP3A4TSHR
SCHEMBL10489143 0.72 SMN1; SMN2 (0.45) ALDH1A1TSHRMAPK1MAPTHSD17B10
SCHEMBL12012131 0.70 ALDH1A1 (0.67) ALDH1A1TDP1KDM4ECYP3A4TSHR

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 23 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
CN-101687783-B 4-(trichloromethylthio)aniline, method for producing the same, and method for producing 4-(trifluoromethylthio)aniline SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
CN-101687783-B 4-(trichloromethylthio)aniline, method for producing the same, and method for producing 4-(trifluoromethylthio)aniline SUMITOMO CHEMICAL CO 2013-05-08 CN 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-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
CN-101687783-A 4-(trichloromethylthio)aniline, method for producing the same, and method for producing 4-(trifluoromethylthio)aniline SUMITOMO CHEMICAL CO 2010-03-31 CN disclosed
CN-101687783-A 4-(trichloromethylthio)aniline, method for producing the same, and method for producing 4-(trifluoromethylthio)aniline SUMITOMO CHEMICAL CO 2010-03-31 CN disclosed
JP-2009013130-A 4-(TRICHLOROMETHYLTHIO)ANILINES, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINES SUMITOMO CHEMICAL CO LTD 2009-01-22 JP disclosed
WO-2009008287-A1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 WO 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 ALDH1A1 406/4885TDP1 3080/4885KDM4E 1970/4885
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 ALDH1A1 406/4885TDP1 3080/4885KDM4E 1970/4885

“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.