SCHEMBL6096824

SCHEMBL6096824

NCCNC(=O)/C=C/c1cc(O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.50
ESR1 P03372 1/20 0.45
SNCA P37840 1/20 0.44
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 4/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL6096826 1.00 PELI1 (0.50) PELI1ESR1SNCAMMP1MMP2
SCHEMBL6098058 0.87 PELI1 (0.65) PELI1ESR1SNCABACE1APP
SCHEMBL6098062 0.87 PELI1 (0.65) PELI1ESR1SNCABACE1APP
SCHEMBL6139216 0.87 LY96 (0.41) PELI1ESR1APP
SCHEMBL6139220 0.87 LY96 (0.41) PELI1ESR1APP
SCHEMBL6096206 0.86 PELI1 (0.51) PELI1SNCAMMP1MMP2MMP9
SCHEMBL6096211 0.86 PELI1 (0.51) PELI1SNCAMMP1MMP2MMP9
Hydrochloric Acid SCHEMBL6139099 0.86 LY96 (0.40) PELI1ESR1APP
Hydrochloric Acid SCHEMBL6139100 0.86 LY96 (0.40) PELI1ESR1APP
SCHEMBL6095931 0.84 PELI1 (0.51) PELI1SNCABACE1APP

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 5 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
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP 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
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 WO 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 1293/4885ESR1 4356/4885SNCA 2855/4885

“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.