SCHEMBL17758337

SCHEMBL17758337

Nc1cc2[nH]c(=O)[nH]c2cc1N1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 8/20 0.45
GRIN3B O60391 8/20 0.45
GRIN1 Q05586 8/20 0.45
GRIN2A Q12879 8/20 0.45
GRIN2B Q13224 8/20 0.45
GRIN2C Q14957 8/20 0.45
GRIN3A Q8TCU5 8/20 0.45
CHRM1 P11229 5/20 0.44
ADRA1D P25100 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IP6K1 Q92551 2/20 0.43
LMNA P02545 1/20 0.43
EED O75530 1/20 0.42

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 0.75 IP6K1 (0.47) ALDH1A1MAPTKDM4EIP6K1LMNA
SCHEMBL17758355 0.74 KDM4E (0.49) ALDH1A1MAPTKDM4E
SCHEMBL17758358 0.73 GAA (0.46) ALDH1A1MAPTKDM4EIP6K1LMNA
SCHEMBL17758353 0.73 GAA (0.46) ALDH1A1MAPTKDM4EIP6K1LMNA
SCHEMBL23043587 0.73 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29979114 0.73 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17758357 0.71 LGMN (0.49) ALDH1A1MAPTKDM4ELMNA
SCHEMBL17758354 0.69 GAA (0.49) ALDH1A1MAPTKDM4E
SCHEMBL6772410 0.69 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3485666 0.69 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 4022/4885GRIN3B 2999/4885GRIN1 3498/4885

“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.