SCHEMBL1107906

SCHEMBL1107906

CC(C)(C)c1cc(-c2nnc(-c3cccc(-c4ccccc4C(F)(F)F)n3)s2)cc(-c2nnc(-c3cccc(-c4ccccc4C(F)(F)F)n3)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
ACP1 P24666 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD11B1 P28845 7/20 0.36
KMO O15229 1/20 0.35
P2RY1 P47900 1/20 0.35
CYP2C19 P33261 1/20 0.34
CTSK P43235 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL1107958 0.92 SCN9A (0.43) SCN9AACP1F2RL3CYP1A2CYP3A4
SCHEMBL1107921 0.88 SCN9A (0.45) SCN9AACP1F2RL3CYP1A2CYP3A4
SCHEMBL1107918 0.87 SCN9A (0.42) SCN9AACP1F2RL3HSD11B1KMO
SCHEMBL1107868 0.85 KMO (0.41) SCN9AF2RL3HSD11B1KMOTRPA1
SCHEMBL1107908 0.85 KMO (0.44) SCN9AACP1F2RL3CYP1A2CYP3A4
SCHEMBL1107947 0.83 KDM4E (0.38)
SCHEMBL1107944 0.82 TRPV3 (0.40) SCN9AP2RY1
SCHEMBL1107927 0.82 CTSS (0.47) F2RL3CYP1A2CYP3A4KMOCTSK
SCHEMBL1107893 0.82 HSD11B1 (0.46) SCN9AACP1F2RL3CYP1A2CYP3A4
SCHEMBL1107876 0.81 KMT2A (0.44)

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 SCN9A 1892/4885ACP1 3034/4885F2RL3 2710/4885

“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.