SCHEMBL4155707

SCHEMBL4155707

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PLA2G2A P14555 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 5/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 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
SCHEMBL4164352 0.89 ACHE (0.52) ACHEALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL17154381 0.82 ACHE (0.52) ACHEALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL17154359 0.77 KMT2A (0.54) ACHEALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL4167466 0.76 MAOA (0.56) ACHEALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL4163690 0.73 HPGD (0.51) ACHEALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL2673969 0.73 LOXL2 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4155709 0.72 KMT2A (0.54) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL11771000 0.71 IDO1 (0.57) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL2082576 0.70 TSHR (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17154382 0.70 ALDH1A1 (0.47) ACHEALDH1A1SMN1; SMN2KMT2AMAPT

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 3 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

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.