SCHEMBL965744

SCHEMBL965744

O=C(CNCC1CCOCC1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CNR2 P34972 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 2/20 0.51
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
IDH2 P48735 1/20 0.49
AKT1 P31749 1/20 0.49

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
SCHEMBL965745 0.83 CNR2 (0.55) LMNAMAPK1MAPTGAAXBP1
SCHEMBL23060409 0.81 MEN1 (0.65) TDP1MAPTKMT2AMEN1GAA
SCHEMBL12526432 0.80 MAPT (0.67) LMNAMAPTKMT2AMEN1GAA
SCHEMBL5208545 0.76 LMNA (0.63) LMNAMAPTKMT2AMEN1GAA
SCHEMBL13568442 0.76 MAPT (0.58) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL15219097 0.76 CYP3A4 (0.46) LMNAKMT2AMEN1GAACNR2
SCHEMBL12020641 0.75 MAPT (0.60) LMNAMAPTKMT2AMEN1GAA
SCHEMBL31236338 0.75 MAPT (0.77) MAPTKMT2AMEN1GAAXBP1
SCHEMBL5142590 0.75 MAPT (0.77) MAPTKMT2AMEN1GAAXBP1
SCHEMBL1621477 0.75 CNR2 (0.53) LMNAKDM4EMAPTKMT2AMEN1

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR LMNA 3817/4885KDM4E 1347/4885MAPK1 276/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR LMNA 3817/4885KDM4E 1347/4885MAPK1 276/4885

“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.