SCHEMBL4273223

SCHEMBL4273223

CCOc1ccc(C(=O)NCCNC(=O)c2cc(-c3ccccc3)n(-c3ccc(SC)cc3)c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.54
TP53 P04637 2/20 0.52
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CA9 Q16790 9/20 0.49
PLK1 P53350 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4262315 0.90 TP53 (0.54) DGAT1TP53MAPTCA1CA2
SCHEMBL4257694 0.87 TP53 (0.53) DGAT1TP53MAPTCA1CA2
SCHEMBL4265230 0.79 NPC1 (0.56) DGAT1TP53MAPTNPC1RAB9A
SCHEMBL4265600 0.75 PLK1 (0.58) MAPTPOLBCA1CA2CA9
SCHEMBL4297562 0.70 NPC1 (0.55) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4292051 0.70 DGAT1 (1.00) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12851588 0.69 TP53 (0.63) TP53MAPTPOLBSMN1; SMN2
SCHEMBL5922429 0.68 CHRNA7 (0.73) TP53MAPTPOLBSMN1; SMN2
SCHEMBL4790332 0.68
SCHEMBL5922310 0.67 THRB (0.63) DGAT1TP53MAPTPOLBPLK1

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US claimed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP claimed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 DGAT1 2/4885TP53 3758/4885MAPT 3900/4885

“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.