SCHEMBL531674

SCHEMBL531674

C[C@@H]([C@@H](O)c1ccncc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.43
NPY5R Q15761 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
SCHEMBL531673 1.00 MEN1 (0.48) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL532301 0.79 MEN1 (0.47) MEN1KMT2ALMNAHSD17B10ALDH1A1
SCHEMBL532302 0.79 MEN1 (0.47) MEN1KMT2ALMNAHSD17B10ALDH1A1
SCHEMBL15670729 0.78 KMT2A (0.59) MEN1KMT2ALMNAHSD17B10TSHR
SCHEMBL15670960 0.78 KMT2A (0.59) MEN1KMT2ALMNAHSD17B10TSHR
SCHEMBL1336080 0.78 CYP2C9 (0.52) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL1335409 0.77 CYP2C9 (0.54) MEN1KMT2ACYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL1666230 0.77 MEN1 (0.51) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL531388 0.75 KMT2A (0.49) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL532486 0.75 KMT2A (0.49) MEN1KMT2ACYP2C9CYP2C19CYP3A4

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 MEN1 4049/4885KMT2A 2516/4885CYP2C9 1101/4885

“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.