SCHEMBL4157747

SCHEMBL4157747

NC(=O)Cc1ccc2c(N)c3ccc(N)cc3nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
TERT O14746 1/20 0.45
ABCB11 O95342 1/20 0.45
THRB P10828 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
SCHEMBL4163690 0.94 HPGD (0.51) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL4159312 0.87 HPGD (0.56) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL4164352 0.81 ACHE (0.52) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL17066272 0.78 MDM4 (0.61) HPGDNPC1NFKB1RAB9ANFKB2
SCHEMBL4163106 0.78 KDM4E (0.53) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL25757979 0.71 KMT2A (0.64) HPGDRAB9AMEN1KMT2AKDM4E
Lactic Acid SCHEMBL11431830 0.71 KMT2A (0.70) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL687483 0.70 CA2 (0.67) ALDH1A1CA2
SCHEMBL4163642 0.70 KDM4E (0.72) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL4155707 0.69 ACHE (0.45) RAB9AMEN1KMT2AALDH1A1MAPT

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 2543/4885NPC1 1097/4885NFKB1 2116/4885

“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.