SCHEMBL1107880

SCHEMBL1107880

FC(F)(F)c1ccc(-c2cccc(-c3nnc(-c4ccc5c(ccc6nc(-c7nnc(-c8cccc(-c9ccc(C(F)(F)F)cc9)n8)s7)ccc65)n4)s3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.39
TRPV3 Q8NET8 7/20 0.37
SCN9A Q15858 3/20 0.37
ACP1 P24666 1/20 0.37
KIF11 P52732 1/20 0.37
TNKS O95271 1/20 0.36
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 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
SCHEMBL1107937 0.89 TRPV3 (0.43) TRPV3SCN9AKIF11MEN1KMT2A
SCHEMBL1107961 0.87 CTSS (0.47) MEN1KMT2AKDM4E
SCHEMBL1107875 0.86 TRPV3 (0.41) TRPV3SCN9AKIF11MEN1KMT2A
SCHEMBL1107878 0.84 RAB9A (0.52) MEN1KMT2AKDM4ERAB9A
SCHEMBL1107881 0.84 TRPV3 (0.39) TRPV3SCN9AKIF11MEN1KMT2A
SCHEMBL1107909 0.83 TRPV3 (0.40) TOP1TRPV3SCN9AMEN1KMT2A
SCHEMBL1107879 0.82 HSD17B1 (0.41) TOP1TRPV3SCN9AKIF11
SCHEMBL1107929 0.82 TRPV3 (0.39) TOP1TRPV3SCN9AKIF11MEN1
SCHEMBL1107931 0.81 KIF11 (0.46) TOP1TRPV3KIF11MEN1KMT2A
SCHEMBL1107966 0.80 CDK2 (0.39) TOP1TRPV3SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 TOP1 860/4885TRPV3 1101/4885SCN9A 1892/4885

“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.