SCHEMBL13664661

SCHEMBL13664661

S=C=Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL28462797 0.98 P2RY6 (0.45) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4333547 0.85 L3MBTL3 (0.67) L3MBTL1L3MBTL3
SCHEMBL5726897 0.83 CHKA (0.53) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL14508111 0.83 L3MBTL3 (0.69) L3MBTL1L3MBTL3
SCHEMBL20069 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL5725595 0.81 MAPT (0.45) ALDH1A1MAPTL3MBTL1THRBHSD17B10
SCHEMBL517105 0.81 ADRA2C (0.52) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL992057 0.81 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL5725616 0.80 CHKA (0.50) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL5741447 0.80 L3MBTL3 (0.50) L3MBTL1MEN1KMT2AL3MBTL3HRH3

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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R ALDH1A1 2349/4885MAPT 2697/4885L3MBTL1 4461/4885

“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.