SCHEMBL4458765

SCHEMBL4458765

CCCCn1c(=O)c(-c2ccccc2)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 5/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 1/20 0.57
F2RL3 Q96RI0 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
F2R P25116 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RCE1 Q9Y256 1/20 0.51
FASN P49327 1/20 0.50
RAD52 P43351 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL4455129 0.90 KDM4E (0.64) ALDH1A1KDM4EMAPTGAAF2RL3
SCHEMBL11861596 0.79 L3MBTL1 (0.59) ALDH1A1MAPTF2RL3MEN1KMT2A
SCHEMBL11413547 0.78 MAPT (0.75) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6578992 0.77 MAPT (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8001057 0.77 MAPT (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7977928 0.77 CNR2 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6582097 0.74 CNR2 (0.47) KDM4EMAPTF2RL3MEN1KMT2A
SCHEMBL13576578 0.74 MAPT (0.65) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL1149826 0.74 MAPT (0.73) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL29481491 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAAF2RL3

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
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
EP-1981341-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) Merck and Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 WO 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 ALDH1A1 575/4885KDM4E 1768/4885MAPT 4736/4885

“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.