SCHEMBL693345

SCHEMBL693345

N#CSc1ccc(N)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
POLB P06746 2/20 0.56
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
USP2 O75604 2/20 0.39
USP8 P40818 1/20 0.39
USP5 P45974 1/20 0.39
USP4 Q13107 1/20 0.39
USP7 Q93009 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HTT P42858 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL13247952 0.81 ALDH1A1 (0.43) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL10801420 0.81 ALDH1A1 (0.61) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL10415659 0.77 ALDH1A1 (0.46) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL29019053 0.76 ALDH1A1 (0.54) ALDH1A1CA2CA5ACA12CA1
SCHEMBL5981668 0.76 ALDH1A1 (0.54) ALDH1A1MAPTCA2CA5ACA12
SCHEMBL2657481 0.76 MAPT (0.56) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL7979164 0.76 ALDH1A1 (0.56) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL10414211 0.76 ALDH1A1 (0.56) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL10414946 0.76 ALDH1A1 (0.56) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL6930947 0.76 CA2 (0.40) ALDH1A1MAPTPOLBCA2CA5A

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 49 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 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-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed
CN-1050663-A Produce the insecticide of benzoyl urea derivative and/or the method for ovicide TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-04-17 CN disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 US disclosed
EP-0154508-B1 THIOPHENYLUREAS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
US-4843100-A Benzoylureas, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
US-4632938-A INSECTICIDES, OVICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-30 US disclosed
EP-0154507-A2 Benzoylureas, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-09-11 EP disclosed
EP-0154508-A2 Thiophenylureas, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-09-11 EP disclosed
US-4331817-A SULFIDING IN THE PRESENCE OF HALOGENS MINNESOTA MINING AND MANUFACTURING CO. (US) 1982-05-25 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 (1 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 406/4885MAPT 2366/4885POLB 2109/4885

“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.