SCHEMBL967263

SCHEMBL967263

C[C@H](NN1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.50
HTT P42858 1/20 0.49
EPHX2 P34913 1/20 0.49
TRPV4 Q9HBA0 3/20 0.49
IDH2 P48735 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CASR P41180 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48

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
SCHEMBL3459439 0.85 KMT2A (0.51) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL967264 0.82 GAA (0.52) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL967254 0.78 SMN1; SMN2 (0.63) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL19745233 0.77 RAB9A (0.64) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL5141402 0.77 ALDH1A1 (0.50) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL5561958 0.76 SMN1; SMN2 (0.63) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL31093984 0.76 SMN1; SMN2 (0.63) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL5133570 0.75 SMN1; SMN2 (0.62) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL963688 0.75 SMN1; SMN2 (0.62) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL965697 0.74 TP53 (0.62) LMNAGAAKMT2AMAPTSMN1; SMN2

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 3817/4885GAA 950/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR LMNA 3817/4885GAA 950/4885KMT2A 3420/4885

“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.