SCHEMBL13801161

SCHEMBL13801161

c1ccc2nc(-c3nc4sc(-c5cnc6ccccc6n5)nc4s3)cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK10 P53779 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
BCHE P06276 1/20 0.49
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPT P10636 3/20 0.42
PDE10A Q9Y233 2/20 0.42
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL28618681 0.83 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29966674 0.79 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3076524 0.79 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29614829 0.79 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29942654 0.79 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13801129 0.74 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31058424 0.74 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8775303 0.74 RAB9A (0.65) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14148744 0.74 NPC1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4954320 0.73 NPC1 (0.81) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 NPC1 2208/4885RAB9A 2849/4885KDM4E 1648/4885

“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.