SCHEMBL454284

SCHEMBL454284

Nc1ccc(NCc2ccsc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
TAAR1 Q96RJ0 1/20 0.47
PNP P00491 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
KDM4C Q9H3R0 1/20 0.39
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PIM1 P11309 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

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
Hydrochloric Acid SCHEMBL6297807 0.98 NPC1 (0.70) NPC1TAAR1PNPMAOAMAOB
SCHEMBL16591628 0.81 NPC1 (0.67) NPC1RAB9AHTT
SCHEMBL16586060 0.81 NPC1 (0.67) NPC1TAAR1PNPMRGPRX1KDM4C
SCHEMBL5692951 0.80 NPC1 (0.51) NPC1TAAR1PNPKDM4CADORA3
SCHEMBL24496667 0.79 NPC1 (0.63) NPC1KDM4CHTT
Hydrochloric Acid SCHEMBL5850789 0.78 NPC1 (0.54) NPC1TAAR1PNPKDM4CADORA3
SCHEMBL455536 0.78 MEN1 (0.50) NPC1MAOAMAOBRAB9ATDP1
SCHEMBL3422016 0.78 MEN1 (0.50) NPC1MAOAMAOBRAB9ATDP1
SCHEMBL5154356 0.78 MEN1 (0.50) NPC1MAOAMAOBRAB9ATDP1
SCHEMBL6797939 0.77 NPC1 (0.61) NPC1KDM4CHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP claimed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US claimed
US-6887281-B2 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-05-03 US claimed
US-6849097-B2 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US claimed
US-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-01-27 US claimed
EP-1313724-B1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS WELLA AG (DE) 2004-04-28 EP claimed
EP-1313724-A1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS Wella Aktiengesellschaft (DE) 2003-05-28 EP claimed
US-20030070240-A1 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US claimed
WO-2002018365-A1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 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-1313724-A1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS Wella Aktiengesellschaft (DE) 2003-05-28 EP disclosed
US-20030070240-A1 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
WO-2002018365-A1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 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 (7 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 NPC1 100/4885TAAR1 3178/4885PNP 1371/4885
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds KRT18, COL2A1, COL1A1 NPC1 4873/4885TAAR1 3508/4885PNP 3182/4885
US-20030070240-A1 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents PNMT, PAH, CYP2E1 NPC1 1682/4885TAAR1 412/4885PNP 1419/4885
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 NPC1 4839/4885TAAR1 3094/4885PNP 2035/4885
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 NPC1 4801/4885TAAR1 50/4885PNP 4713/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 NPC1 100/4885TAAR1 3178/4885PNP 1371/4885
US-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds TYR, PNMT, DDT NPC1 2653/4885TAAR1 460/4885PNP 2076/4885

“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.