SCHEMBL6095870

SCHEMBL6095870

NC(=O)C1CCCN1C(=O)C=Cc1cc(N)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 5/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ACHE P22303 2/20 0.35
ENPP2 Q13822 1/20 0.35
PDK2 Q15119 1/20 0.34
GFER P55789 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL6095866 1.00 PELI1 (0.40) PELI1CYP2C19SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL6095869 0.99 PELI1 (0.39) PELI1CYP2C19SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL6095872 0.99 PELI1 (0.39) PELI1CYP2C19SMN1; SMN2POLBMAPK1
SCHEMBL6771360 0.89 MAPK1 (0.40) CYP2C19SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL6771363 0.89 MAPK1 (0.40) CYP2C19SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL6573569 0.83 PELI1 (0.40) PELI1CYP2C19SMN1; SMN2POLBMAPK1
SCHEMBL6095131 0.82 ENPP2 (0.45) PELI1POLBKMT2AL3MBTL1DPP4
Hydrochloric Acid SCHEMBL6570077 0.82 PELI1 (0.39) PELI1CYP2C19SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL6095016 0.81 ENPP2 (0.44) PELI1POLBKMT2AL3MBTL1DPP4
SCHEMBL6097380 0.81 DPP4 (0.41) PELI1CYP2C19SMN1; SMN2POLBMAPK1

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 PELI1 1293/4885CYP2C19 1000/4885SMN1; SMN2 4044/4885

“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.