SCHEMBL3864037

SCHEMBL3864037

COC(=O)c1sc(-c2ccc(OC)cc2)nc1NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.64
DBF4 Q9UBU7 1/20 0.64
TRPM8 Q7Z2W7 2/20 0.54
PTGDR2 Q9Y5Y4 4/20 0.50
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CLK4 Q9HAZ1 1/20 0.48
VNN1 O95497 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL3823856 0.83 TRPM8 (0.56) TRPM8PTGDR2KMT2AGAAKDM4E
SCHEMBL13675694 0.83 CLK4 (0.52) CDC7DBF4KMT2ACLK4KDM4E
SCHEMBL18720469 0.81 CDC7 (0.58) CDC7DBF4TRPM8KMT2ACYP1A2
SCHEMBL1522666 0.79 CDC7 (0.53) CDC7DBF4TRPM8KMT2ACYP1A2
SCHEMBL23451959 0.76 KDM4E (0.57) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL883107 0.75 TRPM8 (0.49) CDC7DBF4TRPM8KMT2AGAA
SCHEMBL17317889 0.75 CDC7 (0.81) CDC7DBF4TRPM8KMT2ACYP1A2
SCHEMBL15049531 0.74 CDC7 (0.73) CDC7DBF4TRPM8KMT2ACYP1A2
SCHEMBL3844145 0.74 PTGDR2 (0.52) TRPM8PTGDR2KMT2AGAAKDM4E
SCHEMBL5192927 0.74 KDM4E (0.57) CDC7DBF4TRPM8PTGDR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US claimed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
EP-1718297-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP disclosed
EP-1718297-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005070042-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 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-20090270456-A1 Novel chemical compounds HIPK3, HIPK2, HIPK1 CDC7 175/4885DBF4 2235/4885TRPM8 3268/4885

“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.