SCHEMBL4164352

SCHEMBL4164352

NC(=O)Cc1ccc2c(N)c3ccc([N+](=O)[O-])cc3nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
THRB P10828 1/20 0.40
NT5E P21589 1/20 0.40
PLA2G2A P14555 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4155707 0.89 ACHE (0.45) ACHEALDH1A1SMN1; SMN2MAPTPLA2G1B
SCHEMBL4163690 0.86 HPGD (0.51) ACHEALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17154408 0.83 ACHE (0.64) ACHEALDH1A1MAPTRAB9ANPC1
SCHEMBL4157747 0.81 HPGD (0.47) ACHEALDH1A1MAPTRAB9ANPC1
SCHEMBL4159312 0.80 HPGD (0.56) ACHEALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1504456 0.76 ACHE (0.57) ACHEALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL2673969 0.74 LOXL2 (0.59) ALDH1A1SMN1; SMN2MAPTGAAPKM
SCHEMBL4164355 0.73 SMN1; SMN2 (0.53) ACHEALDH1A1SMN1; SMN2MAPTRAB9A
Hydrochloric Acid SCHEMBL11771000 0.72 IDO1 (0.57) ALDH1A1SMN1; SMN2MAPTGAAPKM
SCHEMBL4163106 0.71 KDM4E (0.53) ACHEALDH1A1SMN1; SMN2MAPTRAB9A

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 ACHE 2679/4885ALDH1A1 97/4885SMN1; SMN2 3974/4885

“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.