SCHEMBL1107854

SCHEMBL1107854

c1ccc(-c2cccc(-c3nnc(-c4ccc5ccc(-c6nnc(-c7cccc(-c8ccccn8)n7)s6)cc5c4)s3)n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 3/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 4/20 0.51
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CCR1 P32246 3/20 0.51
CCR5 P51681 3/20 0.51
CCR8 P51685 3/20 0.51
ALOX15 P16050 2/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALPL P05186 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1107874 1.00 KDM4E (0.56) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1097831 0.90 KDM4E (0.61) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107857 0.90 KDM4E (0.61) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107894 0.90 KDM4E (0.65) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107887 0.90 KDM4E (0.65) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107899 0.88 KDM4E (0.62) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1098775 0.86 KDM4E (0.74) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107860 0.86 KDM4E (0.74) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107862 0.84 RAB9A (0.50) KDM4ENPC1RAB9AMAPTATM
SCHEMBL1107848 0.83 KDM4E (0.56) KDM4ENPC1RAB9AMAPTATM

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 KDM4E 834/4885NPC1 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.