SCHEMBL1107876

SCHEMBL1107876

CC(C)(C)c1cc(-c2nnc(-c3cccc(-c4ccccc4)n3)s2)cc(-c2nnc(-c3cccc(-c4ccccc4)n3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.44
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HSD17B1 P14061 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
POLB P06746 1/20 0.36
KIF11 P52732 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 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
SCHEMBL1107913 0.88 MEN1 (0.57) KMT2ARAB9AMEN1PIM1PIM3
SCHEMBL1107927 0.87 CTSS (0.47) KMT2AMEN1PIM1PIM3ALDH1A1
SCHEMBL1107944 0.87 TRPV3 (0.40) KMT2ARAB9AMEN1PIM1PIM3
SCHEMBL1107885 0.85 KDM4E (0.50) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL1107891 0.85 KDM4E (0.50) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL1107905 0.85 MEN1 (0.53) KMT2ARAB9AMEN1PIM1PIM3
SCHEMBL1107866 0.85 RAB9A (0.57) KMT2ARAB9AMEN1PIM1PIM3
SCHEMBL1107947 0.83 KDM4E (0.38) RAB9APIM1PIM3PIM2NPC1
SCHEMBL1107939 0.82 PIM1 (0.34) KMT2ARAB9AMEN1PIM1PIM3
SCHEMBL1107895 0.82 RAB9A (0.67) KMT2ARAB9AMEN1PIM1PIM3

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 KMT2A 2715/4885RAB9A 2662/4885MEN1 1449/4885

“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.