SCHEMBL4616539

SCHEMBL4616539

CC(N)n1c(=O)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
L3MBTL1 Q9Y468 6/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
F12 P00748 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 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
SCHEMBL5956419 0.87 SLC6A2 (0.52) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL4614754 0.84 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL11740967 0.82 SLC6A2 (0.46) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL7759807 0.81 SLC6A2 (0.45) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL11070894 0.81 SLC6A2 (0.48) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL10664881 0.80 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL4615776 0.77 KMT2A (0.51) L3MBTL1KDM4ELMNAALDH1A1F12
SCHEMBL7019185 0.76 SLC6A2 (0.44) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL2155226 0.74 L3MBTL1 (0.45) SLC6A2SLC6A4L3MBTL1KDM4EPKM
SCHEMBL2155107 0.74 SLC6A2 (0.45) SLC6A2SLC6A4L3MBTL1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 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
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP 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 SLC6A2 4631/4885SLC6A4 4394/4885L3MBTL1 4866/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 SLC6A2 4691/4885SLC6A4 4329/4885L3MBTL1 4881/4885

“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.