SCHEMBL4163787

SCHEMBL4163787

CCOC(=O)c1sc(-c2ccccc2)nc1OC

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.79
DBF4 Q9UBU7 9/20 0.79
TRPM8 Q7Z2W7 7/20 0.71
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RARA P10276 1/20 0.55
RARB P10826 1/20 0.55
RARG P13631 1/20 0.55
MAPT P10636 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL15049215 0.89 CDC7 (0.79) CDC7DBF4TRPM8MAPT
SCHEMBL8324969 0.88 CDC7 (1.00) CDC7DBF4TRPM8
SCHEMBL15049029 0.86 CDC7 (0.67) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL17374877 0.85 TRPM8 (0.75) CDC7DBF4TRPM8MAPT
SCHEMBL4811904 0.85 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL1316281 0.85 CDC7 (0.77) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL4503056 0.83 CDC7 (0.88) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL6338322 0.83 TRPM8 (1.00) CDC7DBF4TRPM8MAPT
SCHEMBL4163499 0.83 SMN1; SMN2 (0.64) CDC7DBF4TRPM8ALDH1A1MAPT
SCHEMBL23702797 0.82 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2007089031-A1 PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-09 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT CDC7 3202/4885DBF4 2822/4885TRPM8 451/4885

“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.