SCHEMBL11950451

SCHEMBL11950451

COc1cnn2c(C(F)(F)F)nnc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
SCN5A Q14524 5/20 0.44
CYP1A2 P05177 9/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL1665000 0.78 CYP1A2 (0.44) L3MBTL1SCN5ACYP1A2ALDH1A1HPGD
SCHEMBL23414968 0.70 ALPL (0.49) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL5055884 0.69 ALDH1A1 (0.35) L3MBTL1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5055890 0.69 ALDH1A1 (0.35) L3MBTL1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL23414759 0.67 ALDH1A1 (0.34) L3MBTL1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15907138 0.65 MAPK14 (0.36) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL749848 0.63 ALDH1A1 (0.51) L3MBTL1SCN5ACYP1A2ALDH1A1HPGD
SCHEMBL18197870 0.63 SCN5A (0.43) L3MBTL1SCN5ACYP1A2ALDH1A1HPGD
SCHEMBL16790045 0.62 SCN5A (0.39) L3MBTL1SCN5ACYP1A2ALDH1A1HPGD
SCHEMBL2265814 0.62 ALDH1A1 (0.54) L3MBTL1SCN5ACYP1A2ALDH1A1HPGD

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-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 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 (2 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-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 L3MBTL1 4873/4885SCN5A 1066/4885CYP1A2 9/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 L3MBTL1 4873/4885SCN5A 1066/4885CYP1A2 9/4885

“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.