SCHEMBL5044182

SCHEMBL5044182

CC(=O)c1ccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3cc(F)ccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
MAOA P21397 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4216145 0.92 MAOB (0.43) MAOBL3MBTL1GAAHTTSMN1; SMN2
SCHEMBL4220858 0.92 MAOB (0.42) MAOBMAOAL3MBTL1GAAHTT
SCHEMBL4218108 0.90 HTT (0.44) MAOBMAOAL3MBTL1GAAHTT
SCHEMBL4218634 0.87 MAOB (0.40) MAOBMAOAL3MBTL1
SCHEMBL5044605 0.85 THRB (0.43) MAOBL3MBTL1GAAHTTSMN1; SMN2
SCHEMBL4044613 0.84 PARP1 (0.34) PARP1PARP3ATM
SCHEMBL4044618 0.84 PARP1 (0.34) PARP1PARP3ATM
SCHEMBL14011438 0.83 PARP1 (0.36) PARP1PARP3
SCHEMBL4220932 0.83 HTT (0.46) MAOBL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL4221109 0.81 ALDH1A1 (0.41) MAOBMAOAL3MBTL1GAAHTT

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-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US 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-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 MAOB 962/4885MAOA 751/4885L3MBTL1 4807/4885

“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.