SCHEMBL4459470

SCHEMBL4459470

Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)[nH]c2n(C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2072539 0.78 ADORA2A (0.48) ALDH1A1MAPTADORA2AADORA2BKMT2A
SCHEMBL4458152 0.74 PARP1 (0.47) MAPT
SCHEMBL30530627 0.72 ALDH1A1 (0.72) ALDH1A1MAPTADORA2AADORA2BKMT2A
SCHEMBL13442506 0.69 KMT2A (0.42) ALDH1A1MAPTADORA2AADORA2BKMT2A
SCHEMBL4456746 0.69 HPGD (0.64) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL8530149 0.67 ADORA2A (0.53) ALDH1A1ADORA2AADORA2BKMT2AGAA
SCHEMBL1190927 0.66
SCHEMBL3797438 0.65 POLB (0.53) ALDH1A1KMT2AGAAHPGDPDE3B
SCHEMBL1040106 0.65
SCHEMBL10838564 0.64 KDM4E (0.48) ALDH1A1MAPTADORA2AADORA2BKMT2A

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-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

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 575/4885MAPT 4736/4885ADORA2A 3592/4885

“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.