SCHEMBL3765784

SCHEMBL3765784

FC(F)(F)c1ccc(-c2nsc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
S1PR1 P21453 6/20 0.44
S1PR3 Q99500 2/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
KIF11 P52732 4/20 0.42
GFER P55789 1/20 0.41
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALOX5 P09917 1/20 0.38

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
SCHEMBL8591762 0.82 S1PR1 (0.40) CASP3S1PR1S1PR3THRBALOX5
SCHEMBL14755751 0.82 RAB9A (0.49) LMNAKIF11
SCHEMBL9028816 0.80 CASP3 (0.52) CASP3S1PR1THRB
SCHEMBL3771469 0.79 LMNA (0.43) LMNAALOX5
SCHEMBL1219538 0.79 NPC1 (0.53) CASP3LMNA
SCHEMBL11864915 0.79 KIF11 (0.42) CASP3S1PR1S1PR3LMNATHRB
SCHEMBL14488342 0.78 CASP3 (0.51) CASP3ALOX5
SCHEMBL3761164 0.77 MAPT (0.62) LMNAGFER
SCHEMBL14488216 0.77 CASP3 (0.52) CASP3
SCHEMBL3979477 0.76 LMNA (0.43) LMNATHRBSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed
EP-0453846-A2 Aryloxycarbonyl compounds BAYER AG (DE) 1991-10-30 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 (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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 CASP3 1982/4885S1PR1 59/4885S1PR3 60/4885

“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.