SCHEMBL461180

SCHEMBL461180

Nc1ccc(NC/C=C/c2cc(N)ccc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
HTR6 P50406 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP19A1 P11511 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL461181 1.00 APP (0.38) APPALDH1A1PKMHTR6MAPT
Hydrochloric Acid SCHEMBL6750536 0.98 APP (0.37) APPALDH1A1PKMHTR6MAPT
Hydrochloric Acid SCHEMBL6750531 0.98 APP (0.37) APPALDH1A1PKMHTR6MAPT
SCHEMBL1297430 0.90 MAPT (0.36) ALDH1A1MAPTRAB9AMAOAMAOB
SCHEMBL6549279 0.86 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL6550255 0.86 CYP3A4 (0.38) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL6549280 0.86 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL6549859 0.86 CYP3A4 (0.38) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL460671 0.86 HTR6 (0.39) ALDH1A1HTR6MAPTMAOAMAOB
SCHEMBL460672 0.86 HTR6 (0.39) ALDH1A1HTR6MAPTMAOAMAOB

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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699296-B2 Mixture containing phenylenediamine developer WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US claimed
EP-1183227-B1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-04 EP claimed
US-20030145764-A1 P-diaminobenzene derivatives and dyes containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-08-07 US claimed
EP-1183227-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-06 EP claimed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 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-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-6699296-B2 Mixture containing phenylenediamine developer WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
EP-1183227-B1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-04 EP disclosed
US-20030145764-A1 P-diaminobenzene derivatives and dyes containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-08-07 US disclosed
EP-1183227-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-06 EP disclosed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 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 (4 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 APP 1266/4885ALDH1A1 1476/4885PKM 1063/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 APP 1266/4885ALDH1A1 1476/4885PKM 1063/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 APP 1266/4885ALDH1A1 1476/4885PKM 1063/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 APP 1803/4885ALDH1A1 436/4885PKM 3734/4885

“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.