SCHEMBL6138679

SCHEMBL6138679

Nc1ccc(NC(=O)C=Cc2cc(N)ccc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ MMP1 P03956 5/20 0.45
▸ MMP2 P08253 5/20 0.45
▸ MMP9 P14780 5/20 0.45
▸ MAOA P21397 3/20 0.44
▸ MAOB P27338 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6138676 1.00 SNCA (0.51) SNCAKDM1AMAPTRAB9AMCHR1
Hydrochloric Acid SCHEMBL6139300 0.98 SNCA (0.50) SNCAKDM1AMAPTRAB9AMCHR1
Hydrochloric Acid SCHEMBL6139296 0.98 SNCA (0.50) SNCAKDM1AMAPTRAB9AMCHR1
SCHEMBL6138721 0.93 SNCA (0.58) SNCAKDM1AMAPTMCHR1MMP1
SCHEMBL6138714 0.93 SNCA (0.58) SNCAKDM1AMAPTMCHR1MMP1
Hydrochloric Acid SCHEMBL6139205 0.91 SNCA (0.57) SNCAKDM1AMAPTMCHR1MMP1
Hydrochloric Acid SCHEMBL6139198 0.91 SNCA (0.57) SNCAKDM1AMAPTMCHR1MMP1
SCHEMBL6096714 0.90 SNCA (0.67) SNCAKDM1AMAPTMMP1MMP2
SCHEMBL6096716 0.90 SNCA (0.67) SNCAKDM1AMAPTMMP1MMP2
SCHEMBL6139048 0.87 KDM1A (0.56) KDM1AMAPTRAB9AMMP1MMP2

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 10 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-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 — — US 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 SNCA 1795/4885KDM1A 3571/4885MAPT 755/4885

“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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