SCHEMBL144741

SCHEMBL144741

CC(=O)c1cc[n+](Cc2ccccc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.49

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
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CHKA P35790 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP19A1 P11511 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL146006 0.93 ALDH1A1 (0.50) LMNAPKMNPSR1L3MBTL1ALDH1A1
Sulfuric Acid SCHEMBL141655 0.90 LMNA (0.47) LMNAPKMNPSR1L3MBTL1ALDH1A1
Sulfuric Acid SCHEMBL141656 0.90 LMNA (0.47) LMNAPKMNPSR1L3MBTL1ALDH1A1
SCHEMBL736568 0.87 LMNA (0.56) LMNAPKMNPSR1L3MBTL1ALDH1A1
SCHEMBL143539 0.86 CA12 (0.43) LMNAPKML3MBTL1ALDH1A1HTT
Bromide SCHEMBL140800 0.85 LMNA (0.55) LMNAPKMNPSR1L3MBTL1ALDH1A1
SCHEMBL141653 0.84 CA12 (0.42) LMNAPKML3MBTL1ALDH1A1HTT
SCHEMBL144431 0.84 CA12 (0.42) LMNAPKML3MBTL1ALDH1A1HTT
SCHEMBL145749 0.82 CA12 (0.40) LMNAPKML3MBTL1ALDH1A1HTT
SCHEMBL9241422 0.82 LMNA (0.47) LMNANPSR1L3MBTL1ALDH1A1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2306963-B1 MATTING ADDITIVE FOR BLEACHING HENKEL AG & CO KGAA (DE) 2018-03-28 EP disclosed
US-9693937-B2 Foil applicator HENKEL AG & CO. KGAA (DE) 2017-07-04 US disclosed
US-20150174019-A1 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2015-06-25 US disclosed
EP-2427247-B1 FOIL APPLICATOR HENKEL AG & CO KGAA (DE) 2013-12-18 EP disclosed
US-8137412-B2 Bleaching with concomitant hair tonicizing HENKEL AG & CO. KGAA (DE) 2012-03-20 US disclosed
EP-2427247-A2 FOIL APPLICATOR Henkel AG & Co. KGaA (DE) 2012-03-14 EP disclosed
US-20120055500-A1 Foil Applicator HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing HENKEL AG & CO. KGAA (DE) 2011-09-29 US disclosed
US-8025704-B2 Matting additive for blond hair dyeing HENKEL AG & CO. KGAA (DE) 2011-09-27 US disclosed
US-20110126361-A1 Matting Additive for Blond Hair Dyeing MANNECK HARTMUT 2011-06-02 US disclosed
EP-2306963-A1 MATTING ADDITIVE FOR BLOND HAIR DYING Henkel AG & Co. KGaA (DE) 2011-04-13 EP disclosed
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 disclosed
EP-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 EP disclosed
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP disclosed
WO-2010127902-A2 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2010-11-11 WO disclosed
WO-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 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 (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 LMNA 681/4885PKM 198/4885NPSR1 3926/4885
US-20110126361-A1 Matting Additive for Blond Hair Dyeing LDHB, HMBS, HBB LMNA 318/4885PKM 4184/4885NPSR1 4318/4885
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing KRT18, KAT7, KAT2B LMNA 2188/4885PKM 951/4885NPSR1 4252/4885

“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.