SCHEMBL5036178

SCHEMBL5036178

Nc1nc2sc(N3CCCC3)cc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 4/20 0.32
GAA P10253 3/20 0.32
HSD17B10 Q99714 3/20 0.32
IKBKB O14920 1/20 0.31
MAPT P10636 4/20 0.31
LMNA P02545 3/20 0.31
ALOX15 P16050 3/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL5039679 0.71 ALDH1A1 (0.38) HRH4SMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL5036912 0.71 LMNA (0.37) PIK3CGMAPK1MAPTLMNAALOX15
SCHEMBL5036338 0.71 FAAH (0.36) HRH4
SCHEMBL5040204 0.70 GAA (0.32) ALDH1A1MAPK1GAAHSD17B10MAPT
SCHEMBL5039732 0.68 LMNA (0.35) PIK3CGMAPK1MAPTLMNAALOX15
SCHEMBL5036761 0.68 HRH4 (0.36) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL5040130 0.67 NUDT1 (0.35) NUDT1HRH4PIK3CGPIK3CDPIK3CA
SCHEMBL5044526 0.65 NUDT1 (0.36) NUDT1HRH4PIK3CGPIK3CDPIK3CA
SCHEMBL5040056 0.65 LMNA (0.33) PIK3CGMAPK1MAPTLMNAALOX15
SCHEMBL4428240 0.62 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPK1GAAMAPT

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 NUDT1 3269/4885HRH4 2339/4885PIK3CG 1703/4885

“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.