SCHEMBL6138639

SCHEMBL6138639

CCCNC(=O)C=Cc1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PTGS2 P35354 1/20 0.37
▸ LY96 Q9Y6Y9 1/20 0.37
▸ APP P05067 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34

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
SCHEMBL6139310 0.91 ALDH1A1 (0.41) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
SCHEMBL6139180 0.85 PELI1 (0.46) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
SCHEMBL6139083 0.81 AURKA (0.37) ALDH1A1SMN1; SMN2LMNAPTGS2HPGD
SCHEMBL6139321 0.80 PELI1 (0.50) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
SCHEMBL6139324 0.80 PELI1 (0.50) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
SCHEMBL6139166 0.79 PELI1 (0.43) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
SCHEMBL6139157 0.79 MAPT (0.44) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL6098062 0.79 PELI1 (0.65) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
Hydrochloric Acid SCHEMBL6139155 0.79 PELI1 (0.49) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2
Hydrochloric Acid SCHEMBL6139158 0.79 PELI1 (0.49) PELI1ALDH1A1SMN1; SMN2LMNAPTGS2

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
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 31/4885SMN1; SMN2 719/4885

“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.

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