SCHEMBL3831047

SCHEMBL3831047

O=C(O)C1CSC(c2ccccn2)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 7/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 9/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GFER P55789 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALOX15 P16050 2/20 0.43
S1PR3 Q99500 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3831051 1.00 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL5490059 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL2029800 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL2034753 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL3059385 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL2034755 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL31714043 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL5526027 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL3825265 0.75 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL9249925 0.75 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10KDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US claimed
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US disclosed
US-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD INNOPHARMASCREEN, INC. (KR) 2012-10-18 US disclosed
EP-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 EP disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 WO disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN 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 (2 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-20120264942-A1 METHOD FOR SCREENING OSTEOPONTIN INHIBITOR AND INHIBITOR OBTAINED FROM THE METHOD SOST, ACP3, PTH1R ALDH1A1 3533/4885MAPT 1873/4885HSD17B10 3264/4885
US-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L ALDH1A1 4630/4885MAPT 52/4885HSD17B10 4331/4885

“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.