SCHEMBL5283946

SCHEMBL5283946

CCOc1ccc2c(c1)sc(=NN=C(C)C)n2CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MAPT P10636 8/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 4/20 0.40
PSMB8 P28062 1/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
MAPK1 P28482 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
SCHEMBL5283941 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL5278490 0.86 MAPT (0.60) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL5278485 0.86 MAPT (0.60) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL4615570 0.82 MAPT (0.48) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL4615567 0.82 MAPT (0.48) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL5283624 0.79 MAPT (0.48) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL5283631 0.79 MAPT (0.48) ALDH1A1NPSR1MAPTHPGDHSD17B10
SCHEMBL5282524 0.77 NPSR1 (0.55) ALDH1A1NPSR1MAPTTP53SMN1; SMN2
SCHEMBL5282522 0.77 NPSR1 (0.55) ALDH1A1NPSR1MAPTTP53SMN1; SMN2
SCHEMBL5294128 0.75 S1PR1 (0.39) ALDH1A1NPSR1MAPTHPGDHSD17B10

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-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US claimed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US disclosed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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 (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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT ALDH1A1 454/4885NPSR1 2071/4885MAPT 1807/4885

“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.