SCHEMBL17758385

SCHEMBL17758385

CN(C)c1cc2[nH]c(=O)[nH]c2cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KMT2A Q03164 1/20 0.37
GRIA1 P42261 2/20 0.36
CACNG8 Q8WXS5 2/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL2894232 0.78 PDE3B (0.50) GAAMAPTPDE3BPDE3AKMT2A
SCHEMBL1827312 0.72 ALDH1A1 (0.53) GAAMAPTMAPK1PDE3BPDE3A
SCHEMBL17758383 0.68 PDE3B (0.41) GAAMAPTPDE3BPDE3AGRIA1
SCHEMBL3341909 0.68 CASP7 (0.49) GAAMAPTPDE3BPDE3AKMT2A
SCHEMBL6739346 0.68 PDE3B (0.41) GAAMAPTPDE3BPDE3AKMT2A
SCHEMBL8008664 0.68 GRIN2D (0.55) GAAMAPTPDE3BPDE3AGRIA1
SCHEMBL12138257 0.65 AR (0.46) GAAMAPTPDE3BPDE3AKMT2A
SCHEMBL22160850 0.65 MAPK13 (0.44) GAAMAPTPDE3BPDE3AKMT2A
SCHEMBL17758350 0.64 CREBBP (0.46) GAAMAPTMAPK1PDE3BPDE3A
SCHEMBL12314591 0.64 MAPT (0.59) GAAMAPTKMT2AGRIA1ALDH1A1

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-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST L'OREAL (FR) 2016-05-19 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-20160136077-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING AN AMINOBENZIMIDAZOLONE OXIDATION BASE AND A METAL CATALYST KRT18, CYB5R3, AOC3 GAA 4629/4885MAPT 1583/4885MAPK1 1443/4885

“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.