SCHEMBL5041889

SCHEMBL5041889

Nc1cc2sc(N)nc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SCN4A P35499 2/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
GFER P55789 2/20 0.37
GAA P10253 2/20 0.37
AXL P30530 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NSD1 Q96L73 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
EPHX2 P34913 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
SCHEMBL5040173 0.79 GAA (0.43) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5036975 0.79 GAA (0.32) GAAHTTL3MBTL1NSD1
SCHEMBL5039738 0.75 RAB9A (0.44) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5039895 0.75 LDHA (0.35) ALDH1A1SMN1; SMN2TP53TSHRRAB9A
SCHEMBL5042072 0.71 RAB9A (0.38) ALDH1A1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL5039412 0.71 RAB9A (0.46) ALDH1A1SMN1; SMN2TP53TSHRRAB9A
SCHEMBL5044391 0.71 PIK3CD (0.43) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5039606 0.71 CCNA2 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5039544 0.69 CYP3A4 (0.30) CYP3A4
SCHEMBL5039666 0.69 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR

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 ALDH1A1 492/4885SMN1; SMN2 4773/4885CYP3A4 564/4885

“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.