SCHEMBL4290914

SCHEMBL4290914

CCCC(Br)C(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 3/20 0.57
RXFP1 Q9HBX9 1/20 0.53
PARP1 P09874 1/20 0.52
PKM P14618 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.49
MMP12 P39900 1/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10648089 0.85 ALDH1A1 (0.61) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4290847 0.81 GAA (0.57) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4296059 0.81 ALDH1A1 (0.63) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL10652999 0.78 MAPT (0.78) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4293599 0.78 GAA (0.53) ALDH1A1MAPTPKMGAALMNA
SCHEMBL7350148 0.78 ALDH1A1 (0.56) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL7344018 0.77 ALDH1A1 (0.56) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4287095 0.77 GAA (0.60) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL7341253 0.77 ALDH1A1 (0.58) ALDH1A1MAPTRXFP1PARP1PKM
SCHEMBL4291086 0.77 GAA (0.60) ALDH1A1MAPTRXFP1PKMGAA

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 8 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
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP 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-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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 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.