SCHEMBL4928544

SCHEMBL4928544

Clc1ncnc2c1nnn2-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 3/20 0.56
HSD17B10 Q99714 3/20 0.56
SLC2A1 P11166 1/20 0.48
SLC2A2 P11168 1/20 0.48
SLC2A3 P11169 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SRC P12931 2/20 0.43
GAA P10253 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL839577 0.81 ALDH1A1 (0.39) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL28791217 0.80 ALDH1A1 (0.56) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL12102616 0.79 ALDH1A1 (0.55) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL838439 0.78 PI4KA (0.43) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL1244897 0.78 GPR119 (0.48) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL17802635 0.78 CA9 (0.48)
SCHEMBL23996438 0.76 TP53 (0.52) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL23996447 0.76 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL23996454 0.76 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL21138500 0.76 POLB (0.39) ALDH1A1HPGDNPC1RAB9ATP53

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
EP-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK ALDH1A1 284/4885HPGD 14/4885NPC1 3042/4885

“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.