SCHEMBL6680125

SCHEMBL6680125

CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\C=C\C=C\c1c(C)nn(-c2ccc(S(=O)(=O)O)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 9/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 10/20 0.44
KMT2A Q03164 10/20 0.44
MAPK1 P28482 8/20 0.44
MEN1 O00255 8/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 6/20 0.43
POLB P06746 6/20 0.43
PKM P14618 2/20 0.43
OPRK1 P41145 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13763582 1.00 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL4825033 1.00 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL3188484 1.00 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6678627 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6678634 0.99 KAT8 (0.48) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6679978 0.96 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL6680116 0.96 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL14197585 0.96 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
SCHEMBL10036042 0.96 CA1 (0.53) KAT8CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL6678631 0.91 CA1 (0.48) KAT8CA1CA2CA9ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 EP claimed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 EP claimed
US-6312478-B1 TWO COMPONENT KIT; ONE COMPONENT IS A COLORANT COMPRISING A MONOMETHINE OR POLYMETHINE DYE; SECOND COMPONENT CONSISTING OF A DECOLORIZING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2001-11-06 US claimed
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 US disclosed
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 US disclosed
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 EP disclosed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 EP disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0549976-B1 Bleachable antihalation system STERLING DIAGNOSTIC IMAGING DE (DE) 1998-02-04 EP disclosed
EP-0549976-A1 Bleachable antihalation system DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1993-07-07 EP 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 (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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 KAT8 3530/4885CA1 1468/4885CA2 2334/4885

“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.