SCHEMBL4288276

SCHEMBL4288276

COc1cccc(N(N)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
MTNR1A P48039 12/20 0.44
MTNR1B P49286 12/20 0.44
HSD17B2 P37059 4/20 0.44
HSD17B1 P14061 3/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 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
SCHEMBL12140384 0.88 BRD4 (0.40)
SCHEMBL27931266 0.84 MTNR1A (0.51) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL28705822 0.84 KDM4E (0.43)
SCHEMBL28012007 0.84 MTNR1A (0.45) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL27877846 0.82 MTNR1A (0.44) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1007582 0.82 MTNR1A (0.44) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1779795 0.82 MTNR1A (0.44) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL3407971 0.82 CYP3A4 (0.40) PARP1HSD17B2HSD17B1
SCHEMBL246278 0.81 CA1 (0.42) PARP1CES2CES1
SCHEMBL15550751 0.81 HTR3E (0.43) PARP1HSD17B2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PARP1 4875/4885MTNR1A 369/4885MTNR1B 347/4885

“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.