SCHEMBL17758355

SCHEMBL17758355

CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
PTK2B Q14289 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA2C P18825 2/20 0.45
RAD52 P43351 1/20 0.41
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL17758347 0.85 IP6K1 (0.47) KDM4EMAPTGAAMAPK1HTT
SCHEMBL17758353 0.83 GAA (0.46) KDM4EMAPTGAAMAPK1HTT
SCHEMBL17758358 0.83 GAA (0.46) KDM4EMAPTGAAMAPK1HTT
SCHEMBL17758332 0.83 MAPT (0.44) KDM4EMAPTGAAALDH1A1RAD52
SCHEMBL17758357 0.81 LGMN (0.49) KDM4EMAPTGAARECQLALDH1A1
SCHEMBL19384670 0.72 ATAD2 (0.51) KDM4EMAPTGAAMAPK1HTT
SCHEMBL12212055 0.70 MAPT (0.62) KDM4EMAPTGAAMAPK1HTT
SCHEMBL2894232 0.70 PDE3B (0.50) KDM4EMAPTGAAHTTRECQL
SCHEMBL21949619 0.69 KDM4E (0.54) KDM4EMAPTGAAMAPK1HTT
SCHEMBL4228582 0.68 PDGFRB (0.52) KDM4EMAPTMAPK1HTTALDH1A1

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 KDM4E 2228/4885MAPT 1583/4885GAA 4629/4885

“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.