SCHEMBL4293536

SCHEMBL4293536

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.50
MTNR1B P49286 12/20 0.50
PARP1 P09874 1/20 0.50
HSD17B2 P37059 3/20 0.49
HSD17B1 P14061 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL27931266 0.85 MTNR1A (0.51) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL28103467 0.84 HSD17B2 (0.55) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL1144595 0.83 MTNR1A (0.50) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL22251760 0.82 MTNR1A (0.49) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL7998902 0.82 ALDH1A1 (0.44) LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL28088974 0.81 MTNR1A (0.48) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL20264517 0.81 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL3635559 0.80 MTNR1A (0.52) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4288276 0.80 PARP1 (0.44) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL1012749 0.79 MTNR1A (0.51) MTNR1AMTNR1BPARP1HSD17B2HSD17B1

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R MTNR1A 369/4885MTNR1B 347/4885PARP1 4875/4885

“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.