SCHEMBL5036749

SCHEMBL5036749

Nc1nc2sc(NCCO)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
IKBKB O14920 1/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.32
ILK Q13418 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PAK4 O96013 1/20 0.30
MAP2K7 O14733 1/20 0.30
FABP6 P51161 1/20 0.30

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
SCHEMBL5036925 0.81 MAPT (0.36) ALDH1A1MEN1KMT2APLAUMAPT
SCHEMBL5041320 0.76 FABP6 (0.38) ALDH1A1MEN1KMT2APLAUFABP6
SCHEMBL27672687 0.75 PNP (0.32) IKBKBFABP6PNP
SCHEMBL5039901 0.73 GAA (0.44) CYP2D6CYP2C19IKBKBPOLBPKM
SCHEMBL5040075 0.72 CYP2D6 (0.37) CYP2D6CYP2C19IKBKBPOLBGAA
SCHEMBL5036833 0.72 CYP2D6 (0.31) CYP2D6CYP2C19ILKMAPT
SCHEMBL5036854 0.70 MAPT (0.43) CYP2D6CYP2C19POLBPKMGAA
SCHEMBL5039651 0.70 FABP6 (0.33) POLBPLAUFABP6
SCHEMBL5046334 0.70 CYP2D6 (0.36) CYP2D6CYP2C19IKBKBPOLBGAA
SCHEMBL5036415 0.70 PLAU (0.43) ALDH1A1MEN1KMT2APLAUFABP6

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 4 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
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
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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 (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.