SCHEMBL965697

SCHEMBL965697

C[C@H](NN(C)C)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 2/20 0.52
P2RX1 P51575 1/20 0.51
IDH2 P48735 1/20 0.50

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
SCHEMBL967254 0.85 SMN1; SMN2 (0.63) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL31093984 0.83 SMN1; SMN2 (0.63) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL5561958 0.83 SMN1; SMN2 (0.63) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL963688 0.81 SMN1; SMN2 (0.62) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL5133570 0.81 SMN1; SMN2 (0.62) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL23733551 0.80 SMN1; SMN2 (0.60) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL967252 0.80 ALDH1A1 (0.61) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL19638131 0.80 SMN1; SMN2 (0.60) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL12251335 0.80 SMN1; SMN2 (0.60) TP53SMN1; SMN2KDM4EGAAMEN1
SCHEMBL3034787 0.80 SMN1; SMN2 (0.60) TP53SMN1; SMN2KDM4EGAAMEN1

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 TP53 1327/4885SMN1; SMN2 2850/4885KDM4E 1347/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR TP53 1327/4885SMN1; SMN2 2850/4885KDM4E 1347/4885

“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.