SCHEMBL6139048

SCHEMBL6139048

Nc1cccc(NC(=O)/C=C\c2cc(N)ccc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.56
▸ DDX3X O00571 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ MAOB P27338 8/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MMP1 P03956 8/20 0.47
▸ MMP2 P08253 8/20 0.47
▸ MMP9 P14780 8/20 0.47
▸ LPAR1 Q92633 1/20 0.46
▸ LPAR2 Q9HBW0 1/20 0.46
▸ MAOA P21397 4/20 0.45

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
SCHEMBL6139051 1.00 KDM1A (0.56) KDM1ADDX3XALDH1A1MAOBMAPT
Hydrochloric Acid SCHEMBL6138948 0.99 KDM1A (0.55) KDM1ADDX3XALDH1A1MAOBMAPT
Hydrochloric Acid SCHEMBL6138951 0.99 KDM1A (0.55) KDM1ADDX3XALDH1A1MAOBMAPT
SCHEMBL6095328 0.91 MMP1 (0.56) KDM1ADDX3XMAOBMAPTNPC1
SCHEMBL6095335 0.91 MMP1 (0.56) KDM1ADDX3XMAOBMAPTNPC1
SCHEMBL6097007 0.87 KDM1A (0.65) KDM1ADDX3XALDH1A1MAOBMAPT
SCHEMBL6097012 0.87 KDM1A (0.65) KDM1ADDX3XALDH1A1MAOBMAPT
SCHEMBL6138676 0.87 SNCA (0.51) KDM1AMAOBMAPTNPC1RAB9A
SCHEMBL6138679 0.87 SNCA (0.51) KDM1AMAOBMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6094703 0.86 KDM1A (0.63) KDM1ADDX3XALDH1A1MAOBMAPT

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 KDM1A 3571/4885DDX3X 733/4885ALDH1A1 31/4885

“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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