SCHEMBL4621389

SCHEMBL4621389

COc1ccc2c(c1)s/c(=N/N)n2CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.46
HPGD P15428 12/20 0.46
KDM4E B2RXH2 11/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 5/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 5/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RXFP1 Q9HBX9 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4614265 1.00 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL5616611 0.89 KDM4E (0.44) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL5277645 0.87 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL4613924 0.85 S1PR1 (0.44) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL4613923 0.85 S1PR1 (0.44) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL6526004 0.85 SMN1; SMN2 (0.47) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL11316119 0.84 S1PR1 (0.43) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL6268056 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL4798417 0.75 NPSR1 (0.48) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL5294128 0.74 S1PR1 (0.39) ALDH1A1HPGDKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US disclosed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 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 (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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 ALDH1A1 727/4885HPGD 1038/4885KDM4E 1120/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 ALDH1A1 561/4885HPGD 755/4885KDM4E 1565/4885

“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.