Sugi Predict

Sugi Predict / Compounds / SCHEMBL452549

SCHEMBL452549

SCHEMBL452549

CCNC(=O)/C=C/c1cc(N)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ SLC6A19 Q695T7 1/20 0.47
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MCHR1 Q99705 5/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ LY96 Q9Y6Y9 1/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ TAB1 Q15750 1/20 0.39
▸ PELI1 Q96FA3 2/20 0.38

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
SCHEMBL452551 1.00 ALDH1A1 (0.48) ALDH1A1SLC6A19PTGS1PTGS2MCHR1
Hydrochloric Acid SCHEMBL6139401 0.98 ALDH1A1 (0.47) ALDH1A1SLC6A19PTGS1PTGS2MCHR1
Hydrochloric Acid SCHEMBL6139398 0.98 ALDH1A1 (0.47) ALDH1A1SLC6A19PTGS1PTGS2MCHR1
SCHEMBL6139321 0.88 PELI1 (0.50) ALDH1A1PTGS2MCHR1HDAC3LY96
SCHEMBL6139324 0.88 PELI1 (0.50) ALDH1A1PTGS2MCHR1HDAC3LY96
Hydrochloric Acid SCHEMBL6139155 0.87 PELI1 (0.49) ALDH1A1PTGS2MCHR1HDAC3LY96
Hydrochloric Acid SCHEMBL6139158 0.87 PELI1 (0.49) ALDH1A1PTGS2MCHR1HDAC3LY96
SCHEMBL6094482 0.87 PELI1 (0.51) ALDH1A1SLC6A19PELI1KDM4EMAPT
SCHEMBL6095927 0.87 PELI1 (0.51) ALDH1A1SLC6A19HDAC3HDAC4HDAC1
SCHEMBL6094479 0.87 PELI1 (0.51) ALDH1A1SLC6A19PELI1KDM4EMAPT

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 157 patents — showing the first 20. 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
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 — — US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 — — US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 — — EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 — — EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 — — EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 — — US disclosed
EP-1484048-B1 Hair colouring compositions NOXELL CORP (US) 2019-01-02 — — EP disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 — — WO disclosed
WO-2004108102-A1 HAIR COLOURING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 — — WO disclosed
EP-1484048-A1 Hair colouring compositions The Procter & Gamble Company (US) 2004-12-08 — — EP disclosed
US-20040237218-A1 Hair colouring compositions WELLA OPERATIONS US, LLC 2004-12-02 — — US 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 (5 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 ALDH1A1 1476/4885SLC6A19 2479/4885PTGS1 1686/4885
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
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 ALDH1A1 1476/4885SLC6A19 2479/4885PTGS1 1686/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 ALDH1A1 1476/4885SLC6A19 2479/4885PTGS1 1686/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 ALDH1A1 436/4885SLC6A19 1451/4885PTGS1 2468/4885

“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.