SCHEMBL5039679

SCHEMBL5039679

Nc1nc2sc(N3CCCC3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
VDR P11473 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
DRD2 P14416 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5039729 0.74 RAB9A (0.46) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL17385328 0.72 RAB9A (0.48) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL5036674 0.72 GAA (0.45) ALDH1A1MAPTHPGDGFERSMN1; SMN2
SCHEMBL5044363 0.72 ALDH1A1 (0.35) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL5036178 0.71 NUDT1 (0.33) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL5036761 0.71 HRH4 (0.36) ALDH1A1HPGDGFERSMN1; SMN2RAB9A
SCHEMBL5042072 0.68 RAB9A (0.38) ALDH1A1MAPTVDRHPGDGFER
SCHEMBL5041424 0.68 ALDH1A1 (0.36) ALDH1A1MAPTVDRHPGDGFER
SCHEMBL24163463 0.67 NSD1 (0.43) ALDH1A1MAPTHPGDGFERSMN1; SMN2
SCHEMBL10790337 0.67 ALDH1A1 (0.48) ALDH1A1MAPTGFERDRD2SMN1; SMN2

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 ALDH1A1 492/4885MAPT 439/4885VDR 3350/4885

“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.