SCHEMBL4615224

SCHEMBL4615224

CN(C)S(=O)(=O)c1ccc2c(c1)s/c(=N/N)n2C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
RXFP1 Q9HBX9 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 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
SCHEMBL4615225 1.00 TSHR (0.46) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5373869 0.83 TSHR (0.44) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5283690 0.83 TSHR (0.44) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL1827490 0.83 TSHR (0.50) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL4613949 0.73 RAB9A (0.59) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL4614248 0.73 THRB (0.52) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL4615522 0.73 NPC1 (0.43) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL4615527 0.73 NPC1 (0.43) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL4614251 0.73 THRB (0.52) TSHRL3MBTL1KDM4ENPC1RAB9A
SCHEMBL11385267 0.72 TSHR (0.51) TSHRL3MBTL1KDM4ENPC1RAB9A

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 17 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
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 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-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
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US disclosed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US disclosed
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 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 (4 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 TSHR 2086/4885L3MBTL1 4866/4885KDM4E 1120/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 TSHR 4735/4885L3MBTL1 4883/4885KDM4E 1510/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B TSHR 4782/4885L3MBTL1 4883/4885KDM4E 1324/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 TSHR 4464/4885L3MBTL1 4881/4885KDM4E 1565/4885

“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.