SCHEMBL6139321

SCHEMBL6139321

CCCNC(=O)/C=C/c1cc(N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LY96 Q9Y6Y9 1/20 0.43
PTGS2 P35354 1/20 0.42
APP P05067 1/20 0.42
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TYR P14679 1/20 0.39
MCHR1 Q99705 1/20 0.38
PYGL P06737 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6139324 1.00 PELI1 (0.50) PELI1ALDH1A1LMNASMN1; SMN2LY96
Hydrochloric Acid SCHEMBL6139155 0.99 PELI1 (0.49) PELI1ALDH1A1LMNASMN1; SMN2LY96
Hydrochloric Acid SCHEMBL6139158 0.99 PELI1 (0.49) PELI1ALDH1A1LMNASMN1; SMN2LY96
SCHEMBL452551 0.88 ALDH1A1 (0.48) PELI1ALDH1A1LMNASMN1; SMN2LY96
SCHEMBL452549 0.88 ALDH1A1 (0.48) PELI1ALDH1A1LMNASMN1; SMN2LY96
SCHEMBL6096128 0.87 PELI1 (0.65) PELI1ALDH1A1LMNASMN1; SMN2LY96
SCHEMBL6139076 0.87 LY96 (0.45) PELI1LMNASMN1; SMN2LY96APP
SCHEMBL6098062 0.87 PELI1 (0.65) PELI1ALDH1A1LMNASMN1; SMN2LY96
SCHEMBL6139078 0.87 LY96 (0.45) PELI1LMNASMN1; SMN2LY96APP
SCHEMBL6096125 0.87 PELI1 (0.65) PELI1ALDH1A1LMNASMN1; SMN2LY96

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP claimed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US claimed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 EP claimed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 WO claimed
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US disclosed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 PELI1 2908/4885ALDH1A1 31/4885LMNA 1024/4885

“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.