SCHEMBL4294026

SCHEMBL4294026

O=C1COc2ccc(C(=O)CC(=O)C(F)(F)F)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MAPT P10636 5/20 0.67
GAA P10253 2/20 0.59
PKM P14618 2/20 0.58
RXFP1 Q9HBX9 1/20 0.55
SMYD3 Q9H7B4 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL4724873 0.84 ALDH1A1 (0.73) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4295545 0.83 ALDH1A1 (0.71) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4293880 0.81 ALDH1A1 (0.68) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL532500 0.80 ALDH1A1 (1.00) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4291442 0.80 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL29550875 0.80 ALDH1A1 (1.00) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4264178 0.80 ALDH1A1 (0.75) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL10652999 0.80 MAPT (0.78) ALDH1A1MAPTGAAPKMRXFP1
Hydrochloric Acid SCHEMBL4265299 0.79 ALDH1A1 (0.73) ALDH1A1MAPTGAAPKMRXFP1
SCHEMBL4287097 0.79 ALDH1A1 (0.43) ALDH1A1MAPTGAAPKMSMYD3

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 3 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
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

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 4442/4885GAA 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.