SCHEMBL4221109

SCHEMBL4221109

CC(=O)c1cccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3ccccc3c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PKM P14618 3/20 0.40
MAOB P27338 6/20 0.39
PPARG P37231 2/20 0.37
MAOA P21397 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4218108 0.91 HTT (0.44) ALDH1A1PKMMAOBMAOAMAPT
SCHEMBL4210774 0.88 MAOB (0.47) ALDH1A1MAOBKMT2AKCNA3BRD4
SCHEMBL5132416 0.88 MAOB (0.47) ALDH1A1PKMMAOBMAPTKMT2A
SCHEMBL4222018 0.87 L3MBTL1 (0.42) ALDH1A1PKMMAPTL3MBTL1BRD4
SCHEMBL4213424 0.85 L3MBTL1 (0.42) ALDH1A1PKMMAPTKMT2AL3MBTL1
SCHEMBL5046052 0.85 GSK3B (0.35) ALDH1A1PKMPPARGL3MBTL1KCNA3
SCHEMBL5046051 0.85 GSK3B (0.35) ALDH1A1PKMPPARGL3MBTL1KCNA3
SCHEMBL14011410 0.83 PKM (0.33) PKMPPARGL3MBTL1KCNA3SMN1; SMN2
SCHEMBL4212831 0.82 MAOB (0.42) ALDH1A1MAOBPPARGKCNA3BRD4
SCHEMBL5044182 0.81 MAOB (0.43) ALDH1A1PKMMAOBMAOAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 ALDH1A1 1460/4885PKM 446/4885MAOB 962/4885

“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.