SCHEMBL4616586

SCHEMBL4616586

COc1ccc(-c2csc(=O)n2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
BACE1 P56817 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MCL1 Q07820 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IDO1 P14902 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL4614621 0.82 MAPT (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4616837 0.80 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL19116731 0.79 MAPT (0.45) ADORA3MAPTALDH1A1KMT2AMEN1
SCHEMBL4617337 0.79 IDO1 (0.42) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4614158 0.79 NPC1 (0.42) ALDH1A1KMT2ATDP1KDM4ECA12
SCHEMBL4616451 0.76 KMT2A (0.57) ADORA3BACE1MAPTALDH1A1KMT2A
SCHEMBL4615109 0.76 MAPT (0.51) ADORA3MAPTALDH1A1KMT2AMEN1
SCHEMBL5708491 0.72 MAPT (0.44) ADORA3MAPTALDH1A1KMT2AMEN1
SCHEMBL5708510 0.71 MAPT (0.46) ADORA3MAPTALDH1A1KMT2AMEN1
SCHEMBL5287532 0.71 MAPT (0.49) ADORA3MAPTALDH1A1KMT2AMEN1

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 26 patents — showing the first 20. 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
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP claimed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO 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-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO 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 (5 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 ADORA3 4752/4885BACE1 4012/4885MAPT 1718/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 ADORA3 4079/4885BACE1 3784/4885MAPT 1792/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT ADORA3 4877/4885BACE1 4385/4885MAPT 1013/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B ADORA3 4532/4885BACE1 3927/4885MAPT 2255/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 ADORA3 4688/4885BACE1 4337/4885MAPT 1335/4885

“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.