SCHEMBL6139030

SCHEMBL6139030

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ SLC6A19 Q695T7 1/20 0.40
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MAP3K7 O43318 1/20 0.34
▸ TAB1 Q15750 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LY96 Q9Y6Y9 1/20 0.33
▸ PELI1 Q96FA3 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL6139166 0.91 PELI1 (0.43) ALDH1A1PTGS2KDM4EHPGDLY96
SCHEMBL6139299 0.85 ALDH1A1 (0.44) ALDH1A1SLC6A19PTGS1PTGS2MAP3K7
SCHEMBL6139142 0.83 AURKA (0.38) ALDH1A1PTGS2HPGDSMN1; SMN2GAA
SCHEMBL6138958 0.83 KDM1A (0.43) ALDH1A1KDM4EMCHR1SMN1; SMN2NPC1
SCHEMBL452549 0.79 ALDH1A1 (0.48) ALDH1A1SLC6A19PTGS1PTGS2MAP3K7
SCHEMBL452551 0.79 ALDH1A1 (0.48) ALDH1A1SLC6A19PTGS1PTGS2MAP3K7
SCHEMBL6139310 0.78 ALDH1A1 (0.41) ALDH1A1SLC6A19PTGS1PTGS2MAP3K7
SCHEMBL6094482 0.78 PELI1 (0.51) ALDH1A1SLC6A19KDM4EHPGDPELI1
SCHEMBL6094479 0.78 PELI1 (0.51) ALDH1A1SLC6A19KDM4EHPGDPELI1
Hydrochloric Acid SCHEMBL6139401 0.78 ALDH1A1 (0.47) ALDH1A1SLC6A19PTGS1PTGS2MAP3K7

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 ALDH1A1 31/4885SLC6A19 1349/4885PTGS1 206/4885

“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.

Send feedback