SCHEMBL12435557

SCHEMBL12435557

COc1ccc(C(=O)NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.52
HPGDS O60760 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 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
SCHEMBL13162264 0.89 HPGDS (0.53) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL1580091 0.84 ALDH1A1 (0.46) ALDH1A1RAB9AKDM4EKMT2ANPC1
SCHEMBL28406827 0.81 ALDH1A1 (0.52) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL8114736 0.81 ALDH1A1 (0.64) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL2314242 0.81 USP30 (0.54) ALDH1A1CNR1CNR2
SCHEMBL11239859 0.81 ALDH1A1 (0.70) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL3455875 0.81 ALDH1A1 (0.70) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL28684615 0.81 RAB9A (0.61) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL12435559 0.80 RAB9A (0.60) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL8777820 0.80 ALDH1A1 (0.62) ALDH1A1RAB9AHPGDMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 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-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 ALDH1A1 2860/4885RAB9A 4415/4885HPGD 3111/4885

“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.