SCHEMBL4407233

SCHEMBL4407233

FC(F)(F)Oc1ccc(-c2cc[c]s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CHEK1 O14757 1/20 0.39
KIF11 P52732 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
SCN5A Q14524 8/20 0.37
KCNH2 Q12809 2/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN9A Q15858 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NOTUM Q6P988 1/20 0.36
CASP3 P42574 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
GALR1 P47211 1/20 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
SCHEMBL10470628 0.88 ERCC5 (0.34) ERCC5FEN1CHEK1KIF11NISCH
SCHEMBL1416312 0.76 APP (0.55) KCNH2CASP3MAPT
SCHEMBL694899 0.76 KIF11 (0.43) KIF11NISCH
SCHEMBL1415990 0.72 HSD17B1 (0.36) HDAC6MAPT
SCHEMBL5917537 0.71 NQO1 (0.50) MAPT
SCHEMBL6573034 0.71 KIF11 (0.47) KIF11NISCHSCN5ASCN1ASCN2A
SCHEMBL533257 0.71 KIF11 (0.47) KIF11NISCHSCN5ASCN1ASCN2A
SCHEMBL254957 0.71 MAPT (0.56) KIF11NISCHNOTUMMAPTEPHX2
SCHEMBL2751410 0.69 NOTUM (0.40) KIF11NOTUM
SCHEMBL2646836 0.69 DRD4 (0.47) ERCC5FEN1CHEK1KCNH2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
EP-1663976-B1 4-PYRIDINYLMETHYL SULFONAMIDE DERIVATIVES AS FUNGICIDAL PLANT PROTECTION AGENTS BASF SE (DE) 2009-12-30 EP disclosed
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 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 (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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R ERCC5 4673/4885FEN1 4860/4885CHEK1 4794/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R ERCC5 4450/4885FEN1 4740/4885CHEK1 4635/4885
US-20080214394-A1 N-(4-Pyridyl)Methylsulfonamides For Combating Arthropodal Pests C1S, C5, HRH4 ERCC5 2241/4885FEN1 3345/4885CHEK1 2171/4885

“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.