SCHEMBL6094971

SCHEMBL6094971

Nc1ccc(O)c(C=CC(=O)NCCCn2ccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ITGB2 P05107 3/20 0.54
ICAM1 P05362 3/20 0.54
ITGAL P20701 3/20 0.54
PLK4 O00444 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
NTRK1 P04629 1/20 0.52
PRKCG P05129 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
CSF1R P07333 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
ROS1 P08922 1/20 0.52
KIT P10721 1/20 0.52
FGFR1 P11362 1/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL6094965 1.00 ALDH1A1 (0.60) ALDH1A1ITGB2ICAM1ITGALPLK4
Hydrochloric Acid SCHEMBL6095023 0.99 ALDH1A1 (0.59) ALDH1A1ITGB2ICAM1ITGALPLK4
Hydrochloric Acid SCHEMBL6095027 0.99 ALDH1A1 (0.59) ALDH1A1ITGB2ICAM1ITGALPLK4
SCHEMBL6139174 0.91 ALDH1A1 (0.61) ALDH1A1ITGB2ICAM1ITGALPLK4
SCHEMBL6139179 0.91 ALDH1A1 (0.61) ALDH1A1ITGB2ICAM1ITGALPLK4
Hydrochloric Acid SCHEMBL6139391 0.90 ALDH1A1 (0.60) ALDH1A1ITGB2ICAM1ITGALPLK4
Hydrochloric Acid SCHEMBL6139394 0.90 ALDH1A1 (0.60) ALDH1A1ITGB2ICAM1ITGALPLK4
SCHEMBL6109371 0.83 ALDH1A1 (0.60) ALDH1A1ITGB2ICAM1ITGALPLK4
SCHEMBL6109373 0.83 ALDH1A1 (0.60) ALDH1A1ITGB2ICAM1ITGALPLK4
SCHEMBL7633830 0.81 ALDH1A1 (0.62) ALDH1A1ITGB2ICAM1ITGALPLK4

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 ALDH1A1 36/4885ITGB2 2242/4885ICAM1 667/4885

“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.