SCHEMBL1107929

SCHEMBL1107929

FC(F)(F)c1ccc(-c2cccc(-c3nnc(-c4ccc(-c5nnc(-c6cccc(-c7ccc(C(F)(F)F)cc7)n6)s5)s4)s3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 8/20 0.39
SCN9A Q15858 5/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNA7 P36544 1/20 0.37
LTA4H P09960 1/20 0.36
KIF11 P52732 1/20 0.36
TOP1 P11387 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 0.93 TRPV3 (0.43) TRPV3SCN9AKDM4EMEN1KMT2A
SCHEMBL1107875 0.90 TRPV3 (0.41) TRPV3SCN9AKDM4EMEN1KMT2A
SCHEMBL1107909 0.87 TRPV3 (0.40) TRPV3SCN9AKDM4EMEN1KMT2A
SCHEMBL1107926 0.86 CTSS (0.50) KDM4EMEN1KMT2A
SCHEMBL1107879 0.86 HSD17B1 (0.41) TRPV3SCN9AKIF11TOP1
SCHEMBL1107881 0.84 TRPV3 (0.39) TRPV3SCN9AKDM4EMEN1KMT2A
SCHEMBL1107966 0.83 CDK2 (0.39) TRPV3SCN9ATOP1
SCHEMBL1107880 0.82 TOP1 (0.39) TRPV3SCN9AKDM4EMEN1KMT2A
SCHEMBL1107915 0.82 RAB9A (0.55) KDM4EMEN1KMT2A
SCHEMBL1107931 0.81 KIF11 (0.46) TRPV3MEN1KMT2AKIF11TOP1

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 5 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
EP-2009013-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-12-31 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 TRPV3 1101/4885SCN9A 1892/4885KDM4E 834/4885

“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.