SCHEMBL17758347

SCHEMBL17758347

Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.47
GAA P10253 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
S100B P04271 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17758358 0.98 GAA (0.46) IP6K1GAAALDH1A1MAPTHTT
SCHEMBL17758353 0.98 GAA (0.46) IP6K1GAAALDH1A1MAPTHTT
SCHEMBL17758357 0.85 LGMN (0.49) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL17758355 0.85 KDM4E (0.49) GAAALDH1A1MAPTHTTL3MBTL1
SCHEMBL17758354 0.82 GAA (0.49) GAAALDH1A1MAPTHTTMEN1
SCHEMBL17758332 0.81 MAPT (0.44) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL17758337 0.75 GRIN2D (0.45) IP6K1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2894232 0.73 PDE3B (0.50) GAAALDH1A1MAPTHTTLMNA
SCHEMBL16741279 0.68 CHEK1 (0.58) IP6K1GAAALDH1A1MAPTHTT
SCHEMBL8324237 0.67 ALDH1A1 (0.53) IP6K1GAAALDH1A1MAPTHTT

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 IP6K1 3989/4885GAA 4629/4885ALDH1A1 379/4885

“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.