SCHEMBL965053

SCHEMBL965053

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
GAA P10253 1/20 0.70
XBP1 P17861 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
HDAC3 O15379 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
HTT P42858 3/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TP53 P04637 1/20 0.59

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
Hydrochloric Acid SCHEMBL1358888 0.98 MAPT (0.68) MAPTMEN1KMT2AGAAXBP1
SCHEMBL31236338 0.88 MAPT (0.77) MAPTMEN1KMT2AGAAXBP1
SCHEMBL5142590 0.88 MAPT (0.77) MAPTMEN1KMT2AGAAXBP1
SCHEMBL30212894 0.86 SMN1; SMN2 (0.69) MAPTMEN1KMT2AGAAXBP1
SCHEMBL9429509 0.86 SMN1; SMN2 (0.69) MAPTMEN1KMT2AGAAXBP1
SCHEMBL6244853 0.86 ALDH1A1 (0.76) MAPTMEN1KMT2AGAAXBP1
SCHEMBL693942 0.85 MAPT (0.72) MAPTMEN1KMT2AGAAXBP1
SCHEMBL693941 0.85 MAPT (0.72) MAPTMEN1KMT2AGAAXBP1
SCHEMBL26627751 0.85 MAPT (0.72) MAPTMEN1KMT2AGAAXBP1
SCHEMBL5541507 0.84 MAPT (0.70) MAPTMEN1KMT2AGAAXBP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
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-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 WO 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 MAPT 3812/4885MEN1 4049/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885MEN1 4049/4885KMT2A 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.