SCHEMBL13613772

SCHEMBL13613772

CC(=O)c1c(O)cc(=O)n2c1CCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LDHA P00338 1/20 0.41
KMT2A Q03164 6/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 3/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.35
USP2 O75604 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
SCHEMBL2434012 0.83 ALDH1A1 (0.89) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL2432352 0.78 ALDH1A1 (0.97) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL693438 0.70 KMT2A (0.46) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL698276 0.66 MAPK1 (0.56) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL2431326 0.65 ALDH1A1 (0.71) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL21398380 0.65 MAPK1 (0.60) ALDH1A1LDHAKMT2AHPGDMEN1
SCHEMBL24916794 0.64 HTR2A (0.50) ALDH1A1KMT2AMEN1MAPK1GAA
SCHEMBL924349 0.64 PDE3B (0.44) ALDH1A1KMT2AMEN1CYP3A4MAPK1
SCHEMBL8844254 0.62 KDM4E (0.40) ALDH1A1LDHAKMT2AMEN1MAPK1
SCHEMBL9233695 0.62 KDM4E (0.48) ALDH1A1KMT2AMEN1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 ALDH1A1 1214/4885LDHA 3022/4885KMT2A 1364/4885

“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.