SCHEMBL4295364

SCHEMBL4295364

O=C(Cl)Cc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.65
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.54
MMP12 P39900 1/20 0.54
NR3C2 P08235 3/20 0.52
DRD4 P21917 3/20 0.51
TSHR P16473 1/20 0.51
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL4286655 0.87 PARP1 (0.67) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL16421393 0.86 PARP1 (0.65) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL10923540 0.86 PARP1 (0.69) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL9130576 0.82 PARP1 (0.60) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL3087984 0.82 PARP1 (0.64) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL28693938 0.82 PARP1 (0.72) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL554735 0.82 PARP1 (0.72) PARP1ALDH1A1MAPTMMP12NR3C2
SCHEMBL11002313 0.82 PARP1 (0.77) PARP1ALDH1A1MAPTMMP12NR3C2
SCHEMBL4767159 0.81 PARP1 (0.59) PARP1ALDH1A1MAPTKDM4EMMP12
SCHEMBL14073116 0.81 PARP1 (0.62) PARP1ALDH1A1MAPTMMP12NR3C2

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 4875/4885ALDH1A1 2708/4885MAPT 4442/4885

“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.