SCHEMBL5281877

SCHEMBL5281877

COc1ccc(-c2csc(=NN=C(C)C)n2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
PTGS2 P35354 10/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
HTT P42858 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 1/20 0.45
ALOX5 P09917 5/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL5282302 0.88 RXFP1 (0.54) KMT2AMEN1PTGS2CA12CA1
SCHEMBL4617244 0.82 CA12 (0.67) KMT2AMEN1PTGS2CA12CA1
SCHEMBL5287532 0.81 MAPT (0.49) KMT2AMEN1PTGS2CA12CA1
SCHEMBL5708549 0.80 KMT2A (0.61) KMT2AMEN1PTGS2CA12CA1
SCHEMBL31217446 0.80 KMT2A (0.98) KMT2AMEN1PTGS2CA12CA1
SCHEMBL5287646 0.79 RXFP1 (0.44) KMT2AMEN1PTGS2CA12CA1
SCHEMBL5708551 0.76 KMT2A (0.59) KMT2AMEN1PTGS2CA12CA1
SCHEMBL4616451 0.75 KMT2A (0.57) KMT2AMEN1PTGS2CA12CA1
SCHEMBL5280714 0.74 CYP1A2 (0.50) KMT2AMEN1PTGS2HTTMAPT
SCHEMBL5278228 0.72 SMN1; SMN2 (0.41) KMT2AMEN1PTGS2CA12CA1

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 KMT2A 1273/4885MEN1 3322/4885PTGS2 2330/4885

“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.