SCHEMBL418646

SCHEMBL418646

Nc1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A4 P08684 2/20 0.36
GAA P10253 3/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL3075356 0.86 ALDH1A1 (0.41) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL2940314 0.86 ALDH1A1 (0.41) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL30881973 0.84 TSHR (0.39) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL2164875 0.84 TSHR (0.39) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL10497902 0.84 CD44 (0.34) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL29017087 0.82 ALDH1A1 (0.41) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL112134 0.80 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL29893374 0.80 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1KDM4E
Hydrochloric Acid SCHEMBL4379610 0.78 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1KDM4E
Hydrochloric Acid SCHEMBL27585317 0.78 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150113-A1 FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2010-02-10 EP claimed
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US claimed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP claimed
WO-2008131901-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO claimed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO claimed
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2014-12-25 US disclosed
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-8642596-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-02-04 US disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US disclosed
US-4452628-A TRIAZINYL BENZENE SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
EP-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP disclosed
EP-0097013-A2 Fungicidal heterocyclic amines ELI LILLY AND COMPANY (US) 1983-12-28 EP disclosed
EP-0076059-A1 Anticoccidial combinations ELI LILLY AND COMPANY (US) 1983-04-06 EP disclosed
US-4366168-A POLYETHER ANTIBIOTIC AND 2, 4-DINITRO N- 4-(POLYFLUOROALKOXY)PHENYL -6-(TRIBLUOROMETHYL) BENZENAMINE ELI LILLY AND COMPANY (US) 1982-12-28 US disclosed
EP-0064322-A2 Benzenesulfonyl isocyanates, isothiocyanates, chlorides, and sulfonamides having a fluorinated substituent E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-11-10 EP disclosed
US-4304791-A INSECTICIDES, ANTIPROTOZOA AGENTS, AND PARASITICIDES ELI LILLY AND COMPANY (US) 1981-12-08 US disclosed
EP-0023422-A2 Herbicidal sulfonamides, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-04 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 (3 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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885ADRA2B 4468/4885PTGS1 262/4885
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK ALDH1A1 1761/4885ADRA2B 1812/4885PTGS1 4496/4885
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SORD, GBA1, GK ALDH1A1 3188/4885ADRA2B 2781/4885PTGS1 4279/4885

“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.