SCHEMBL528392

SCHEMBL528392

[c]1nc2ccccc2nc1-c1cnc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPK10 P53779 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ADORA3 P0DMS8 4/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
CYP1A2 P05177 1/20 0.42
MAPT P10636 3/20 0.41
PDE10A Q9Y233 1/20 0.41
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
SCHEMBL1434260 0.78 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL578172 0.78 KDM4E (0.50) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16268045 0.77 METAP2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EADORA3
SCHEMBL3076524 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29614829 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29942654 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29966674 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL5456308 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL2659111 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL9843907 0.73 ALDH1A1 (0.40) RAB9AKDM4EALDH1A1HPGDHSD17B10

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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 US disclosed
WO-2011051950-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD (IL) 2011-05-05 WO disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 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 (3 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-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP NPC1 4377/4885RAB9A 2409/4885SMN1; SMN2 4805/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 NPC1 2884/4885RAB9A 3465/4885SMN1; SMN2 3315/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP NPC1 1326/4885RAB9A 2307/4885SMN1; SMN2 2829/4885

“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.