SCHEMBL4455301

SCHEMBL4455301

O=c1[nH]c2[nH]c3ccccc3c2c(O)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
KDM4E B2RXH2 3/20 0.52
FASN P49327 2/20 0.49
ALDH1A1 P00352 2/20 0.47
IDE P14735 1/20 0.47
MPI P34949 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
HPGD P15428 1/20 0.46
PDE9A O76083 1/20 0.46

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
SCHEMBL4468040 0.91 MAPT (0.66) MAPTKDM4EFASNALDH1A1IDE
SCHEMBL4455323 0.82 MAPT (1.00) MAPTKDM4EFASNALDH1A1IDE
SCHEMBL29709937 0.76 MAPT (0.75) MAPTKDM4EALDH1A1IDEMPI
SCHEMBL5396117 0.76 MAPT (0.75) MAPTKDM4EALDH1A1IDEMPI
SCHEMBL11647789 0.73 PARP1 (0.61) MAPTKDM4EALDH1A1IDEMPI
SCHEMBL28132803 0.73 MAPT (0.71) MAPTKDM4EALDH1A1IDEMPI
SCHEMBL15193380 0.73 MAPT (0.60) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL15484969 0.72 PARP1 (0.60) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL15194482 0.71 MAPT (0.77) MAPTKDM4EFASNALDH1A1IDE
SCHEMBL22457098 0.70 CHEK1 (0.62) MAPTKDM4EALDH1A1IDEMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 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-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) FASN, FADS2, FADS1 MAPT 4736/4885KDM4E 1768/4885FASN 1/4885

“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.