SCHEMBL4288427

SCHEMBL4288427

O=C1COc2ccc(C3=Cc4ccc(NCCO)cc4SC3)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NR3C2 P08235 7/20 0.39
HPGD P15428 1/20 0.39
PGR P06401 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL4289195 0.88 MAPT (0.42) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL4298219 0.80 NR3C2 (0.44) PARP1ALDH1A1MAPTSMN1; SMN2NR3C2
SCHEMBL4291376 0.78 NR3C2 (0.51) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL4293857 0.78 NR3C2 (0.52) NR3C2PGR
SCHEMBL4299750 0.78 NR3C2 (0.47) MAPTNR3C2PGR
SCHEMBL4295945 0.77 NR3C2 (0.48) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL4291562 0.76 NR3C2 (0.41) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL4291199 0.73 PARP1 (0.43) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8237777 0.68 NR3C2 (0.49) PARP1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL17315432 0.68 PARP1 (0.54) PARP1ALDH1A1MAPTSMN1; SMN2NR3C2

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 4 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US 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 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.