SCHEMBL6095545

SCHEMBL6095545

NCCNC(=O)C=Cc1cc(N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.50
APP P05067 3/20 0.47
SNCA P37840 1/20 0.44
TYR P14679 1/20 0.44
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.41
MMP1 P03956 1/20 0.41
ARG1 P05089 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
BACE1 P56817 1/20 0.40
LY96 Q9Y6Y9 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
SCHEMBL6095540 1.00 PELI1 (0.50) PELI1APPSNCATYRACHE
Hydrochloric Acid SCHEMBL6094382 0.99 PELI1 (0.49) PELI1APPSNCATYRACHE
Hydrochloric Acid SCHEMBL6094378 0.99 PELI1 (0.49) PELI1APPSNCATYRACHE
SCHEMBL6096128 0.87 PELI1 (0.65) PELI1APPSNCATYRACHE
SCHEMBL6096125 0.87 PELI1 (0.65) PELI1APPSNCATYRACHE
SCHEMBL6139220 0.87 LY96 (0.41) PELI1APPLY96
SCHEMBL6139216 0.87 LY96 (0.41) PELI1APPLY96
SCHEMBL6096192 0.86 PELI1 (0.51) PELI1APPSNCATYRACHE
SCHEMBL6096196 0.86 PELI1 (0.51) PELI1APPSNCATYRACHE
Hydrochloric Acid SCHEMBL6096230 0.86 PELI1 (0.64) PELI1APPSNCATYRACHE

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 7 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
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN 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
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN 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 1293/4885APP 72/4885SNCA 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.