SCHEMBL3580737

SCHEMBL3580737

O=C(O)c1ncsc1NC1CC1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.42
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.38
DAO P14920 1/20 0.34
CSNK2A1 P68400 1/20 0.34
SYK P43405 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CD38 P28907 1/20 0.32

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
SCHEMBL2830009 0.98 HCAR3 (0.44) HCAR3KDM4EPKMDAOCSNK2A1
SCHEMBL2827434 0.92 HCAR3 (0.46) HCAR3KDM4EPKMALDH1A1GAA
SCHEMBL2827656 0.90 HCAR3 (0.45) HCAR3KDM4EALDH1A1GAA
Lithium Ion SCHEMBL3580735 0.81 HCAR3 (0.35) HCAR3KDM4EPKMCSNK2A1SYK
SCHEMBL2826097 0.77 NAMPT (0.47)
SCHEMBL2826675 0.76 POLB (0.43) KDM4EALDH1A1GAA
SCHEMBL2828793 0.72 SMN1; SMN2 (0.47)
SCHEMBL2824726 0.72 KDM4E (0.47) HCAR3KDM4EPKMDAO
SCHEMBL27825998 0.72 KDM4E (0.47) KDM4EPKMDAO
SCHEMBL3530775 0.71 ALDH1A1 (0.48) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC HCAR3 990/4885KDM4E 1828/4885PKM 1629/4885

“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.