SCHEMBL6097385

SCHEMBL6097385

NC(=O)C1CCCN1C(=O)C=Cc1cc(O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
PELI1 Q96FA3 2/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
APP P05067 3/20 0.35
ENPP2 Q13822 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
PDK2 Q15119 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL6097380 1.00 DPP4 (0.41) DPP4PELI1MAPK1KMT2AL3MBTL1
SCHEMBL6771363 0.89 MAPK1 (0.40) DPP4MAPK1KMT2AL3MBTL1CYP2C19
SCHEMBL6771360 0.89 MAPK1 (0.40) DPP4MAPK1KMT2AL3MBTL1CYP2C19
SCHEMBL6572196 0.83 PELI1 (0.40) PELI1MAPK1KMT2AL3MBTL1CYP2C19
SCHEMBL6095315 0.82 ENPP2 (0.45) DPP4PELI1MAPK1KMT2AL3MBTL1
SCHEMBL6095866 0.81 PELI1 (0.40) DPP4PELI1MAPK1KMT2AL3MBTL1
SCHEMBL6095870 0.81 PELI1 (0.40) DPP4PELI1MAPK1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6095869 0.80 PELI1 (0.39) DPP4PELI1MAPK1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6095872 0.80 PELI1 (0.39) DPP4PELI1MAPK1KMT2AL3MBTL1
SCHEMBL6096936 0.77 PELI1 (0.62) PELI1KMT2AL3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK DPP4 3484/4885PELI1 1293/4885MAPK1 477/4885

“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.