SCHEMBL6096192

SCHEMBL6096192

CC(=O)NCCNC(=O)/C=C/c1cc(N)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.51
TYR P14679 2/20 0.45
APP P05067 3/20 0.45
LY96 Q9Y6Y9 1/20 0.44
ACHE P22303 2/20 0.43
SNCA P37840 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 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
SCHEMBL6096196 1.00 PELI1 (0.51) PELI1TYRAPPLY96ACHE
Hydrochloric Acid SCHEMBL6094881 0.99 PELI1 (0.50) PELI1TYRAPPLY96ACHE
Hydrochloric Acid SCHEMBL6094884 0.99 PELI1 (0.50) PELI1TYRAPPLY96ACHE
SCHEMBL6139076 0.88 LY96 (0.45) PELI1TYRAPPLY96HPGD
SCHEMBL6139078 0.88 LY96 (0.45) PELI1TYRAPPLY96HPGD
SCHEMBL6096128 0.88 PELI1 (0.65) PELI1TYRAPPLY96ACHE
SCHEMBL6096125 0.88 PELI1 (0.65) PELI1TYRAPPLY96ACHE
Hydrochloric Acid SCHEMBL6096230 0.86 PELI1 (0.64) PELI1TYRAPPLY96ACHE
Hydrochloric Acid SCHEMBL6096228 0.86 PELI1 (0.64) PELI1TYRAPPLY96ACHE
Hydrochloric Acid SCHEMBL6139342 0.86 LY96 (0.44) PELI1TYRAPPLY96HPGD

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 1293/4885TYR 677/4885APP 72/4885

“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.