SCHEMBL4293294

SCHEMBL4293294

C=C(C(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
PKM P14618 1/20 0.57
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
NR3C2 P08235 9/20 0.52
NR3C1 P04150 4/20 0.52
PGR P06401 2/20 0.52
SMYD3 Q9H7B4 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL4290617 0.89 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAALMNA
SCHEMBL4290782 0.79 ALDH1A1 (0.65) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL707058 0.78 MMP12 (0.65) ALDH1A1NR3C2NR3C1PGRMMP12
SCHEMBL4297102 0.77 ALDH1A1 (0.53) ALDH1A1MAPTPKMGAALMNA
SCHEMBL3443973 0.77 ALDH1A1 (0.69) ALDH1A1MAPTPKMGAALMNA
SCHEMBL31189953 0.77 ALDH1A1 (0.69) ALDH1A1MAPTPKMGAALMNA
SCHEMBL532793 0.77 GAA (0.71) ALDH1A1MAPTPKMGAALMNA
SCHEMBL24125014 0.76 ALDH1A1 (0.72) ALDH1A1MAPTPKMGAALMNA
SCHEMBL352186 0.76 ALDH1A1 (0.68) ALDH1A1MAPTPKMGAALMNA
SCHEMBL4295965 0.75 NR3C2 (0.53) ALDH1A1MAPTPKMGAALMNA

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 ALDH1A1 2708/4885MAPT 4442/4885PKM 2524/4885

“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.