SCHEMBL1049804

SCHEMBL1049804

Cc1cc[n+](C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.52
RCE1 Q9Y256 1/20 0.52
CHAT P28329 1/20 0.50
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RAD52 P43351 2/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
NQO2 P16083 1/20 0.44
RECQL P46063 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30894444 1.00 MAPT (0.55) MAPTHTTSMN1; SMN2RAB9ARCE1
Hydrochloric Acid SCHEMBL6330564 0.98 MAPT (0.58) MAPTHTTSMN1; SMN2RAB9ARCE1
Iodide SCHEMBL29462686 0.98 MAPT (0.53) MAPTHTTSMN1; SMN2RAB9ARCE1
Iodide SCHEMBL336208 0.98 MAPT (0.53) MAPTHTTSMN1; SMN2RAB9ARCE1
SCHEMBL28731928 0.92 MAPT (0.49) MAPTHTTSMN1; SMN2RAB9ARCE1
SCHEMBL6338379 0.92 RAB9A (0.50) MAPTHTTSMN1; SMN2RAB9ARCE1
SCHEMBL5679481 0.87 RAB9A (0.46) MAPTHTTSMN1; SMN2RAB9ARCE1
SCHEMBL19121786 0.84 CYP2A6 (0.50) MAPTHTTSMN1; SMN2RAB9ARCE1
SCHEMBL6332742 0.83 RAB9A (0.43) MAPTHTTSMN1; SMN2RAB9ARCE1
Trifluoromethanesulfonic Acid SCHEMBL7074404 0.82 RAB9A (0.42) MAPTHTTSMN1; SMN2RAB9ARCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US claimed
EP-2205681-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'Oreal (FR) 2010-07-14 EP claimed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 WO claimed
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP claimed
US-7473280-B2 Coloring agent compositions and methods of treating keratin fibers therewith HENKEL KGAA (DE) 2009-01-06 US claimed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 EP claimed
EP-1198457-B1 QUATERNIZED AZAFLUORENONES AND THEIR USE IN AGENTS FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-12-14 EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1194117-B1 AGENT FOR DYEING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2005-06-01 EP claimed
EP-1194116-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2005-05-04 EP claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 US claimed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US claimed
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed
EP-1139988-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2002-09-25 EP claimed
US-4287335-A WHEREIN SAID COMPOUND IS A STYRYLPYRIDINIUM SALT OR A STYRYLQUINOLINIUM SALT USEFUL IN PRODUCING A PHOTOSENSITIVE RESIN AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1981-09-01 US 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 (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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST MAPT 1485/4885HTT 1843/4885SMN1; SMN2 4562/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 MAPT 446/4885HTT 678/4885SMN1; SMN2 4701/4885

“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.