SCHEMBL6139310

SCHEMBL6139310

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SLC6A19 Q695T7 1/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 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
SCHEMBL6138639 0.91 PELI1 (0.43) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL6139141 0.85 ALDH1A1 (0.44) ALDH1A1SLC6A19MEN1MAPTKMT2A
SCHEMBL6139083 0.82 AURKA (0.37) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL6139157 0.81 MAPT (0.44) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL452549 0.79 ALDH1A1 (0.48) ALDH1A1SLC6A19MEN1MAPTKMT2A
SCHEMBL452551 0.79 ALDH1A1 (0.48) ALDH1A1SLC6A19MEN1MAPTKMT2A
SCHEMBL6139030 0.78 ALDH1A1 (0.41) ALDH1A1SLC6A19MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6139401 0.78 ALDH1A1 (0.47) ALDH1A1SLC6A19MEN1MAPTKMT2A
SCHEMBL6095927 0.78 PELI1 (0.51) ALDH1A1SLC6A19MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6139398 0.78 ALDH1A1 (0.47) ALDH1A1SLC6A19MEN1MAPTKMT2A

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 1349/4885MEN1 4488/4885

“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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