SCHEMBL11057014

SCHEMBL11057014

Nc1c2ccccc2nc2c(N)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
HSD17B10 Q99714 7/20 0.65
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
ACHE P22303 6/20 0.65
HPGD P15428 4/20 0.65
GLA P06280 3/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CHRM2 P08172 2/20 0.65
ADRA2A P08913 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CHRM1 P11229 2/20 0.65
SLC6A2 P23975 2/20 0.65
OPRM1 P35372 2/20 0.65
KCNH2 Q12809 2/20 0.65
NQO2 P16083 1/20 0.65
MAOA P21397 1/20 0.65

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
SCHEMBL11060901 0.82 CYP1A2 (0.66) CYP1A2HSD17B10KDM4EALDH1A1ACHE
SCHEMBL30182735 0.82 CYP1A2 (0.66) CYP1A2HSD17B10KDM4EALDH1A1ACHE
SCHEMBL11051320 0.81 CYP1A2 (0.64) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL29354393 0.80 HSD17B10 (1.00) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL14999 0.80 HSD17B10 (1.00) CYP1A2HSD17B10KDM4EALDH1A1ACHE
SCHEMBL18650753 0.78 ACHE (0.63) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL14482032 0.78 HSD17B10 (0.95) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL4907467 0.78 HSD17B10 (0.95) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL18989123 0.78 HSD17B10 (0.95) CYP1A2HSD17B10KDM4EALDH1A1ACHE
Aminacrine SCHEMBL635597 0.78 RAB9A (1.00) CYP1A2HSD17B10KDM4EALDH1A1ACHE

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 6 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-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
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO disclosed
US-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 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 CYP1A2 4069/4885HSD17B10 1965/4885KDM4E 4255/4885

“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.