SCHEMBL4289121

SCHEMBL4289121

CCCCC(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
MAPT P10636 6/20 0.68
RXFP1 Q9HBX9 2/20 0.61
PARP1 P09874 1/20 0.56
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL10652999 0.87 MAPT (0.78) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL27593103 0.86 ALDH1A1 (0.67) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL4850707 0.86 ALDH1A1 (0.74) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL4861393 0.86 ALDH1A1 (0.67) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL4173560 0.84 ALDH1A1 (0.80) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL7341640 0.84 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL7339238 0.82 ALDH1A1 (0.65) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL4293880 0.82 ALDH1A1 (0.68) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4295545 0.82 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMSMN1; SMN2
SCHEMBL4291442 0.81 ALDH1A1 (0.75) ALDH1A1MAPTRXFP1PKMSMN1; SMN2

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 5 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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN 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 ALDH1A1 2708/4885MAPT 4442/4885RXFP1 381/4885

“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.