SCHEMBL142175

SCHEMBL142175

CC(=O)c1cc[n+](C)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
APOBEC3A P31941 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
NR1I2 O75469 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL24352 0.87 MAPT (0.49) MAPTLMNAMAPK1KMT2APKM
SCHEMBL1712526 0.84 CA12 (0.41) CA12CA9MAPTLMNAKDM4E
SCHEMBL143539 0.83 CA12 (0.43) CA12CA9MAPTLMNAKDM4E
Sulfuric Acid SCHEMBL140508 0.83 USP2 (0.40) CA12CA9MAPTLMNAMAPK1
Sulfuric Acid SCHEMBL140509 0.83 USP2 (0.40) CA12CA9MAPTLMNAMAPK1
SCHEMBL6553185 0.83 USP2 (0.40) CA12CA9MAPTLMNAMAPK1
SCHEMBL141653 0.82 CA12 (0.42) CA12CA9MAPTLMNAKDM4E
SCHEMBL144431 0.82 CA12 (0.42) CA12CA9MAPTLMNAKDM4E
SCHEMBL9940785 0.82 MAPT (0.44) MAPTLMNAKDM4EMAPK1KMT2A
SCHEMBL9940807 0.82 MAPT (0.44) MAPTLMNAKDM4EMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP claimed
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP claimed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO claimed
EP-2651377-B1 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION HENKEL AG & CO KGAA (DE) 2017-04-12 EP claimed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP claimed
EP-2429483-B1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-11-25 EP claimed
EP-2429484-B1 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-03-25 EP claimed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP claimed
US-20140170100-A1 OXIDATIVE HAIR TREATMENT WITH SILICONE AND BLEACH HENKEL AG & CO. KGAA (DE) 2014-06-19 US claimed
US-8740995-B1 Oxidative hair treatment with silicone and bleach HENKEL AG & CO. KGAA (DE) 2014-06-03 US claimed
US-8021438-B2 Cationic acylpyridinium derivatives for use as bleach activators HENKEL AG & CO. KGAA (DE) 2011-09-20 US claimed
US-7981166-B2 Bleaching agent having cationic acyl pyridinium derivatives, co-bleaching activators and hydrogen peroxide HENKEL AG & CO. KGAA (DE) 2011-07-19 US claimed
WO-2011082848-A2 ANTIBACTERIAL AND BLEACHING ORAL AND DENTAL HYGIENE AND CLEANING AGENT II HENKEL AG & CO. KGAA (DE) 2011-07-14 WO claimed
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2011-06-23 US claimed
EP-2315576-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2011-05-04 EP claimed
EP-2314761-A1 Bleach activators for methods for bleaching cellulose fibres Henkel AG & Co. KGaA (DE) 2011-04-27 EP claimed
WO-2011045142-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
WO-2011045134-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
US-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2011-03-03 US claimed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE F12, KRT18, H1-3 CA12 1197/4885CA9 1404/4885MAPT 3525/4885
US-20140170100-A1 OXIDATIVE HAIR TREATMENT WITH SILICONE AND BLEACH KRT18, ALDH7A1, NDUFAB1 CA12 1747/4885CA9 3261/4885MAPT 2861/4885
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, AADAC, KAT7 CA12 1017/4885CA9 2387/4885MAPT 974/4885

“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.