SCHEMBL531388

SCHEMBL531388

CC(C(=O)c1ccncc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
CYP3A4 P08684 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 3/20 0.49
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42

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
SCHEMBL532486 1.00 KMT2A (0.49) KMT2ACYP3A4MEN1CYP1A2PGR
SCHEMBL17965952 0.89 PGR (0.57) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL531228 0.78 MEN1 (0.48) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL19349131 0.77 MEN1 (0.61) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL531457 0.76 PLA2G4A (0.48) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1312597 0.76 CYP2C9 (0.55) KMT2ACYP3A4MEN1CYP1A2CYP2D6
SCHEMBL15812249 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL15670744 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL1336080 0.76 CYP2C9 (0.52) KMT2ACYP3A4MEN1CYP1A2CYP2D6
SCHEMBL531674 0.75 MEN1 (0.48) KMT2ACYP3A4MEN1CYP1A2CYP2C9

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
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-7915271-B2 1,3-oxazolidin-2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-29 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-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB KMT2A 2516/4885CYP3A4 1888/4885MEN1 4049/4885

“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.