SCHEMBL4157750

SCHEMBL4157750

CC(=O)Nc1ccc2c(N)c3ccc(N)cc3nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GLA P06280 1/20 0.58
TNNI3 P19429 1/20 0.58
TNNT2 P45379 1/20 0.58
TNNC1 P63316 1/20 0.58
RUNX1 Q01196 1/20 0.58
CBFB Q13951 1/20 0.58
PABPC1 P11940 1/20 0.55
ALDH1A1 P00352 3/20 0.51
CLK1 P49759 1/20 0.49
ELANE P08246 1/20 0.48
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4163695 0.94 KDM4E (0.65) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL4159315 0.87 KDM4E (0.66) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL13696892 0.85 KMT2A (0.55) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL29384128 0.85 KDM4E (0.81) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL125080 0.85 KDM4E (0.81) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL13697268 0.81 KMT2A (0.61) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL4164355 0.81 SMN1; SMN2 (0.53) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL4163110 0.78 KMT2A (0.66) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL17154362 0.78 KDM1A (0.74) KDM4EKMT2AMAPTMEN1NPC1
SCHEMBL17066272 0.77 MDM4 (0.61) KDM4EKMT2AMAPTMEN1NPC1

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 KDM4E 4255/4885KMT2A 4502/4885MAPT 2114/4885

“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.