SCHEMBL5036209

SCHEMBL5036209

Nc1cc2sc(NCCO)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
IKBKB O14920 2/20 0.36
ILK Q13418 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PI4KB Q9UBF8 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
GLA P06280 1/20 0.33
RAD52 P43351 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5036328 0.80 POLB (0.41) CYP2C19ILKGAAMAPK1MEN1
SCHEMBL5040075 0.74 CYP2D6 (0.37) CYP2D6CYP2C19IKBKBILKGAA
SCHEMBL5036399 0.74 LDHA (0.36) IKBKBGAAKMT2AKDM4ERAB9A
SCHEMBL5044350 0.73 POLB (0.38) CYP2D6CYP2C19IKBKBILKGAA
SCHEMBL5036574 0.72 ILK (0.36) CYP2D6CYP2C19IKBKBILKGAA
SCHEMBL21588479 0.72 SMN1; SMN2 (0.50) GAAMAPK1MEN1KMT2AKDM4E
SCHEMBL5036817 0.69 CYP2D6 (0.34) CYP2D6CYP2C19IKBKBILKGAA
SCHEMBL5039901 0.69 GAA (0.44) CYP2D6CYP2C19IKBKBILKGAA
SCHEMBL5039531 0.69 KDM4E (0.36) CYP2D6CYP2C19IKBKBGAAMAPK1
SCHEMBL5036674 0.68 GAA (0.45) CYP2C19GAAKMT2API4KBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CYP2D6 1077/4885CYP2C19 1794/4885IKBKB 4109/4885

“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.