SCHEMBL5281427

SCHEMBL5281427

COc1ccc2sc(=NN=C(C)C)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5281425 1.00 MAPT (0.46) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5283631 0.85 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5283624 0.85 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5278209 0.80 NPSR1 (0.42) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5278212 0.80 NPSR1 (0.42) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL4615118 0.80 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL4615119 0.80 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5287339 0.77 RAB9A (0.46) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5287342 0.77 RAB9A (0.46) MAPTSMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL5278390 0.76 MAPT (0.64) MAPTSMN1; SMN2RAB9ANPC1NPSR1

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 MAPT 1807/4885SMN1; SMN2 3523/4885RAB9A 3143/4885

“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.