SCHEMBL4458152

SCHEMBL4458152

Cc1nn(C)c2[nH]c(=O)c(-c3ccccc3)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CDK8 P49336 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL4456746 0.84 HPGD (0.64) PARP1KDM4E
SCHEMBL4459470 0.74 ALDH1A1 (0.63) MAPT
SCHEMBL1719969 0.74 PARP1 (0.53) PARP1KDM4E
SCHEMBL4468093 0.71 MAPT (0.46) MAPT
SCHEMBL23401154 0.68 MAPT (0.62) KDM4ECDK8ACVR1MAPT
SCHEMBL1190927 0.68
SCHEMBL22286076 0.68 PARP1 (0.40) PARP1KDM4EMAPT
SCHEMBL1040123 0.68
SCHEMBL22286022 0.67 LMNA (0.47) PARP1KDM4E
SCHEMBL1040106 0.67

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 PARP1 683/4885KDM4E 1768/4885CDK8 1492/4885

“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.