SCHEMBL1107944

SCHEMBL1107944

CC(C)(C)c1cc(-c2nnc(-c3cccc(-c4ccc(C(F)(F)F)cc4)n3)s2)cc(-c2nnc(-c3cccc(-c4ccc(C(F)(F)F)cc4)n3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 7/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RY1 P47900 1/20 0.39
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
KMT2A Q03164 2/20 0.36
CTSS P25774 1/20 0.36
SCN9A Q15858 3/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL1107909 0.92 TRPV3 (0.40) TRPV3KDM4EKMT2ACTSSSCN9A
SCHEMBL1107927 0.90 CTSS (0.47) KDM4EKMT2ACTSSPIM1PIM3
SCHEMBL1107879 0.88 HSD17B1 (0.41) TRPV3CTSSSCN9APIM1PIM3
SCHEMBL1107876 0.87 KMT2A (0.44) NPC1RAB9AKDM4ETNFNOD1
SCHEMBL1107875 0.87 TRPV3 (0.41) TRPV3KDM4EP2RY1KMT2ASCN9A
SCHEMBL1107937 0.87 TRPV3 (0.43) TRPV3KDM4EKMT2ASCN9AMEN1
SCHEMBL1107931 0.86 KIF11 (0.46) TRPV3RAB9AKMT2APIM1PIM3
SCHEMBL1107966 0.83 CDK2 (0.39) TRPV3SCN9APIM1PIM3
SCHEMBL1107923 0.83 CTSS (0.52) RAB9AKDM4EKMT2ACTSSPIM1
SCHEMBL1107906 0.82 SCN9A (0.38) P2RY1SCN9A

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 TRPV3 1101/4885NPC1 2459/4885RAB9A 2662/4885

“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.