SCHEMBL4158593

SCHEMBL4158593

Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.57
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
GLA P06280 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
HPGD P15428 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
NQO2 P16083 1/20 0.56
MAOA P21397 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL31657710 1.00 ACHE (0.57) ACHEALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL1504456 0.91 ACHE (0.57) ACHEALDH1A1KDM4EGLASMN1; SMN2
Aminacrine SCHEMBL27801295 0.85 ALDH1A1 (0.65) ACHEALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL23485748 0.83 ACHE (0.56) ACHEALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL17154408 0.82 ACHE (0.64) ACHEALDH1A1TDP1RAB9AKMT2A
SCHEMBL4620978 0.81 KMT2A (0.52) ALDH1A1KDM4EGLASMN1; SMN2TDP1
SCHEMBL4163828 0.81 KMT2A (0.59) ACHEALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL7590550 0.80 KMT2A (0.60) ALDH1A1KDM4EGLASMN1; SMN2TDP1
SCHEMBL9330916 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EGLASMN1; SMN2TDP1
SCHEMBL13697360 0.76 ABCG2 (0.55) ACHEALDH1A1KDM4EGLASMN1; SMN2

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 11 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-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
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
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
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
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 ACHE 2679/4885ALDH1A1 97/4885KDM4E 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.