SCHEMBL4288362

SCHEMBL4288362

O=C1COc2ccc(C(=O)CCc3ccccc3)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
MAPT P10636 5/20 0.65
GAA P10253 1/20 0.60
RXFP1 Q9HBX9 2/20 0.59
LMNA P02545 1/20 0.58
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 2/20 0.56
PARP1 P09874 1/20 0.56
KDM4E B2RXH2 2/20 0.54
PTGES O14684 1/20 0.54

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
SCHEMBL4293605 0.88 ALDH1A1 (0.68) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL6034819 0.86 ALDH1A1 (0.57) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL6035048 0.85 ALDH1A1 (0.56) ALDH1A1MAPTGAARXFP1LMNA
Hydrochloric Acid SCHEMBL4861197 0.85 ALDH1A1 (0.56) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL7341640 0.85 ALDH1A1 (0.71) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL6035322 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGAARXFP1LMNA
Hydrochloric Acid SCHEMBL4853737 0.84 ALDH1A1 (0.55) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL4853743 0.84 MAPT (0.53) ALDH1A1MAPTGAARXFP1LMNA
SCHEMBL4860859 0.84 MAPT (0.52) ALDH1A1MAPTGAARXFP1LMNA
Hydrochloric Acid SCHEMBL4850733 0.84 ALDH1A1 (0.53) ALDH1A1MAPTGAARXFP1LMNA

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-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US 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-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 (2 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 445/4885MAPT 2713/4885GAA 551/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R ALDH1A1 2708/4885MAPT 4442/4885GAA 4763/4885

“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.