SCHEMBL1002271

SCHEMBL1002271

Cc1cc[n+](C)c2ccccc12.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

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
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
RCE1 Q9Y256 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CHAT P28329 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TERT O14746 1/20 0.36

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
SCHEMBL11074520 0.86 HTT (0.48) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL5679481 0.86 RAB9A (0.46) KDM4EMAPTSMN1; SMN2HTTRAB9A
SCHEMBL3323373 0.86 LMNA (0.40) KDM4ESMN1; SMN2HTTLMNARAB9A
SCHEMBL30278762 0.83 CHAT (0.46) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL3885913 0.83 CHAT (0.46) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL11209473 0.83 LMNA (0.38) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL6332742 0.82 RAB9A (0.43) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL1838460 0.82 KDM4E (0.61) KDM4EMAPTHSD17B10SMN1; SMN2HTT
Trifluoromethanesulfonic Acid SCHEMBL7074404 0.81 RAB9A (0.42) KDM4EMAPTSMN1; SMN2HTTRAB9A
SCHEMBL30894444 0.80 MAPT (0.55) KDM4EMAPTSMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-10011570-B2 Nucleic acid binding dyes with improved safety BIOTIUM, INC. (US) 2018-07-03 US disclosed
US-10005908-B2 Methine-substituted cyanine dye compounds Life Technologies Corporation (US) 2018-06-26 US disclosed
US-20160304719-A1 Methine-Substituted Cyanine Dye Compounds Life Technologies Corporation 2016-10-20 US disclosed
EP-2610315-B1 Methine-substituted cyanine dye compounds LIFE TECHNOLOGIES CORP (US) 2016-08-31 EP disclosed
US-9403985-B2 Methine-substituted cyanine dye compounds Life Technologies Corporation (US) 2016-08-02 US disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
EP-1720945-B1 METHINE-SUBSTITUTED CYANINE DYE COMPOUNDS LIFE TECHNOLOGIES CORP (US) 2016-03-16 EP disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 WO disclosed
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed
US-3944556-A PHOTOCONDUCTOR, FLUORESCENT, PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1976-03-16 US 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-10011570-B2 Nucleic acid binding dyes with improved safety POLRMT, POLI, EWSR1 KDM4E 3940/4885MAPT 2181/4885HSD17B10 2702/4885
US-10005908-B2 Methine-substituted cyanine dye compounds NSUN2, NSUN3, CBR3 KDM4E 1203/4885MAPT 4546/4885HSD17B10 3393/4885
US-20160304719-A1 Methine-Substituted Cyanine Dye Compounds NSUN2, NSUN3, CBR3 KDM4E 1203/4885MAPT 4546/4885HSD17B10 3393/4885

“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.