SCHEMBL5039729

SCHEMBL5039729

Nc1cc2sc(N3CCCC3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.46
NPC1 O15118 11/20 0.46
SMN1; SMN2 Q16637 11/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
APOBEC3A P31941 1/20 0.41

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
SCHEMBL17385328 0.98 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17385341 0.76 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17385339 0.74 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5039679 0.74 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17372954 0.73 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18802971 0.72 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5036674 0.71 GAA (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5044363 0.71 ALDH1A1 (0.35) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5039412 0.70 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18344142 0.70 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 3830/4885NPC1 4651/4885SMN1; SMN2 4773/4885

“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.