SCHEMBL23220

SCHEMBL23220

CC(=O)c1cccc[n+]1C.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
LMNA P02545 7/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TERT O14746 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 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
SCHEMBL144101 0.91 CA12 (0.39) LMNAHTTSMN1; SMN2MAPTTSHR
SCHEMBL1712546 0.84 MAPT (0.40) LMNAHTTSMN1; SMN2HPGDMAPT
Sulfuric Acid SCHEMBL143279 0.84 HDAC8 (0.39) LMNASMN1; SMN2HPGDMAPTTSHR
Sulfuric Acid SCHEMBL143278 0.84 HDAC8 (0.39) LMNASMN1; SMN2HPGDMAPTTSHR
SCHEMBL1712432 0.82 KDM4E (0.40) LMNAHTTSMN1; SMN2HPGDMAPT
P-Cresol SCHEMBL872802 0.81 ACHE (0.43) LMNAHTTSMN1; SMN2HPGDMAPT
SCHEMBL143689 0.81 LMNA (0.38) LMNAHTTSMN1; SMN2HPGDMAPT
SCHEMBL29922 0.80 HDAC8 (0.48) LMNASMN1; SMN2HPGDMAPTTSHR
SCHEMBL18577930 0.80 LMNA (0.49) LMNAHTTSMN1; SMN2MAPTRECQL
SCHEMBL1716992 0.80 MAPT (0.43) LMNAHTTSMN1; SMN2HPGDMAPT

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 382 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
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-2934472-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER Henkel AG & Co. KGaA (DE) 2015-10-28 EP claimed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP claimed
EP-2440174-B1 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO KGAA (DE) 2014-12-17 EP claimed
WO-2014095179-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO. KGAA (DE) 2014-06-26 WO 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
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
EP-2295027-A2 Intensive protective dye Henkel AG & Co. KGaA (DE) 2011-03-16 EP claimed
WO-2010142493-A2 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130510-A2 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO 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 (1 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-20140170100-A1 OXIDATIVE HAIR TREATMENT WITH SILICONE AND BLEACH KRT18, ALDH7A1, NDUFAB1 LMNA 1467/4885HTT 1801/4885SMN1; SMN2 4001/4885

“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.