SCHEMBL4159312

SCHEMBL4159312

NC(=O)Cc1ccc2c(N)c3ccccc3nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
NFKB1 P19838 1/20 0.56
STAT1 P42224 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KDM4E B2RXH2 7/20 0.53
ACHE P22303 5/20 0.53
GLA P06280 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
NQO2 P16083 1/20 0.53

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
SCHEMBL4163690 0.92 HPGD (0.51) HPGDRAB9ANPC1NFKB1STAT1
SCHEMBL4163106 0.91 KDM4E (0.53) HPGDRAB9ANPC1NFKB1STAT1
SCHEMBL4157747 0.87 HPGD (0.47) HPGDRAB9ANPC1NFKB1STAT1
SCHEMBL4164352 0.80 ACHE (0.52) HPGDRAB9ANPC1NFKB1STAT1
SCHEMBL13696992 0.77 HSD17B10 (0.50) HPGDRAB9ANPC1KDM4EACHE
Aminacrine SCHEMBL14999 0.73 HSD17B10 (1.00) HPGDRAB9ANFKB1KDM4EACHE
Aminacrine SCHEMBL29354393 0.73 HSD17B10 (1.00) HPGDRAB9ANFKB1KDM4EACHE
Aminacrine SCHEMBL12478613 0.73 KDM4E (0.67) HPGDRAB9AKDM4EACHEGLA
SCHEMBL15761576 0.73 KDM4E (0.67) HPGDRAB9AKDM4EACHEGLA
SCHEMBL11055652 0.73 ACHE (0.67) HPGDRAB9AKDM4EACHEGLA

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-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
EP-1940965-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI Scotland Limited (GB) 2008-07-09 EP disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 HPGD 2543/4885RAB9A 1712/4885NPC1 1097/4885

“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.