SCHEMBL30278762

SCHEMBL30278762

C[n+]1ccc(C=O)c2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.46
KDM4E B2RXH2 4/20 0.44
UBE2N P61088 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 3/20 0.43
MAPK1 P28482 3/20 0.43
RAD52 P43351 2/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
BLM P54132 2/20 0.40
RECQL P46063 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL3885913 1.00 CHAT (0.46) CHATKDM4EUBE2NSMN1; SMN2HTT
SCHEMBL5716038 0.94 SMN1; SMN2 (0.41) CHATKDM4EUBE2NSMN1; SMN2HTT
SCHEMBL22444491 0.88 HTT (0.45) CHATKDM4EUBE2NSMN1; SMN2HTT
SCHEMBL4609887 0.86 CHAT (0.53) CHATKDM4EUBE2NSMN1; SMN2HTT
SCHEMBL1002271 0.83 KDM4E (0.42) CHATKDM4ESMN1; SMN2HTTMAPT
SCHEMBL29357465 0.83 CHAT (0.62) CHATKDM4ESMN1; SMN2HTTNPSR1
SCHEMBL876926 0.83 CHAT (0.62) CHATKDM4ESMN1; SMN2HTTNPSR1
SCHEMBL6554349 0.82 CHAT (0.49) CHATKDM4ESMN1; SMN2HTTNPSR1
Trifluoromethanesulfonic Acid SCHEMBL7049988 0.81 HTT (0.48) CHATKDM4ESMN1; SMN2HTTNPSR1
SCHEMBL3323373 0.81 LMNA (0.40) CHATKDM4ESMN1; SMN2HTTPKM

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104266-A1 USE OF A NATURAL OCCURRING POLYPHENOL AS AN OXIDATIVE COUPLER DYE PRECURSOR IN AN OXIDATIVE HAIR COLOURING COMPOSITION WELLA GERMANY GMBH (DE) 2026-05-21 WO claimed
EP-4739272-A1 OXIDATIVE HAIR COLOURING COMPOSITION Wella Germany GmbH (DE) 2026-05-13 EP claimed
EP-4731170-A1 OXIDATIVE HAIR COLOURING COMPOSITION COMPRISING A CHELANT MIXTURE Wella Germany GmbH (DE) 2026-04-29 EP claimed
US-12564545-B2 Hair coloring compositions comprising 2-amino-1-propanol as alkalising agents WELLA GERMANY GMBH (DE) 2026-03-03 US claimed
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP claimed
WO-2025031867-A1 OXIDATIVE HAIR COLOURING COMPOSITION COMPRISING A CHELANT MIXTURE WELLA GERMANY GMBH (DE) 2025-02-13 WO claimed
WO-2025008339-A1 OXIDATIVE HAIR COLOURING COMPOSITION WELLA GERMANY GMBH (DE) 2025-01-09 WO claimed
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
WO-2023017039-A1 HAIR COLORING COMPOSITIONS COMPRISING 2-AMINO-1-PROPANOL AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 WO claimed
WO-2026104266-A1 USE OF A NATURAL OCCURRING POLYPHENOL AS AN OXIDATIVE COUPLER DYE PRECURSOR IN AN OXIDATIVE HAIR COLOURING COMPOSITION WELLA GERMANY GMBH (DE) 2026-05-21 WO disclosed
EP-4743055-A1 OXIDATIVE HAIR TREATMENT COMPOSITIONS COMPRISING POLYETHERS Wella Germany GmbH (DE) 2026-05-20 EP disclosed
EP-4739272-A1 OXIDATIVE HAIR COLOURING COMPOSITION Wella Germany GmbH (DE) 2026-05-13 EP disclosed
EP-4719328-A1 BLEACHING MEDIUM COMPRISING A PHENALENONE Wella Germany GmbH (DE) 2026-04-08 EP disclosed
EP-4633584-A1 BLEACH POWDER AND METHOD FOR BLEACHING HAIR Wella Germany GmbH (DE) 2025-10-22 EP disclosed
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP disclosed
WO-2025016926-A1 OXIDATIVE HAIR TREATMENT COMPOSITIONS COMPRISING POLYETHERS Wella GmbH (DE) 2025-01-23 WO disclosed
WO-2025008339-A1 OXIDATIVE HAIR COLOURING COMPOSITION WELLA GERMANY GMBH (DE) 2025-01-09 WO disclosed
WO-2024246147-A1 BLEACHING MEDIUM COMPRISING A PHENALENONE WELLA GERMANY GMBH (DE) 2024-12-05 WO disclosed
WO-2024126047-A1 BLEACH POWDER AND METHOD FOR BLEACHING HAIR WELLA GERMANY GMBH (DE) 2024-06-20 WO disclosed
WO-2023017039-A1 HAIR COLORING COMPOSITIONS COMPRISING 2-AMINO-1-PROPANOL AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 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 (2 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-12564545-B2 Hair coloring compositions comprising 2-amino-1-propanol as alkalising agents PHOSPHO1, ALDH7A1, AASDHPPT CHAT 821/4885KDM4E 1524/4885UBE2N 1186/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO CHAT 35/4885KDM4E 1526/4885UBE2N 4674/4885

“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.