SCHEMBL1107870

SCHEMBL1107870

c1ccc(-c2cccc(-c3cccc(-c4nnc(-c5cc(-c6nnc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)s6)cc(-c6nnc(-c7cccc(-c8cccc(-c9ccccn9)n8)n7)s6)c5)s4)n3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
DCTPP1 Q9H773 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 2/20 0.45
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CCR1 P32246 1/20 0.45
HTT P42858 1/20 0.45
CCR5 P51681 1/20 0.45

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
SCHEMBL1107899 0.88 KDM4E (0.62) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1097831 0.87 KDM4E (0.61) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1107857 0.87 KDM4E (0.61) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1107848 0.85 KDM4E (0.56) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1107883 0.85 KDM4E (0.56) NPC1RAB9AKDM4EMAPTATM
SCHEMBL9973695 0.84 CYP2A6 (0.53) CYP2A6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10020874 0.84 CYP2A6 (0.76) CYP2A6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1107887 0.81 KDM4E (0.65) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1107894 0.81 KDM4E (0.65) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1098775 0.81 KDM4E (0.74) NPC1RAB9AKDM4EMAPTATM

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 CYP2A6 3130/4885NPC1 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.