SCHEMBL13696992

SCHEMBL13696992

NC(=O)CCc1ccc2nc3ccccc3c(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 3/20 0.50
HPGD P15428 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ACHE P22303 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
NQO2 P16083 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4149713 0.90 KDM4E (0.51) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL13696902 0.88 ALDH1A1 (0.49) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL4163106 0.86 KDM4E (0.53) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL13696899 0.84 HIF1A (0.49) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL4162331 0.81 RAB9A (0.43) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL15624437 0.80 KDM4E (0.56) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL4605568 0.79 ALDH1A1 (0.51) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL4603440 0.79 ALDH1A1 (0.51) HSD17B10KDM4EALDH1A1GLAHPGD
SCHEMBL14526709 0.79 EPHX2 (0.49) ALDH1A1HPGDSMN1; SMN2RAB9AGAA
SCHEMBL4159358 0.79 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1GLAHPGD

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 2 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
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 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 (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 HSD17B10 1965/4885KDM4E 4255/4885ALDH1A1 97/4885

“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.