SCHEMBL12468696

SCHEMBL12468696

Cc1oc(-c2ccc(N(Cc3cccnc3)C(=O)C(F)(F)F)cc2)nc1CS(=O)(=O)c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.41
POLB P06746 5/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
AVPR1B P47901 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL12468689 0.86 MAPT (0.44) PDK1POLBMAPTTHRBALDH1A1
Trifluoroacetic Acid SCHEMBL12468693 0.83 MAPT (0.57) POLBMAPTTHRBHTTMEN1
SCHEMBL15326092 0.81 MAPT (0.60) POLBMAPTTHRBHTTMEN1
SCHEMBL15419507 0.79 MEN1 (0.40) PDK1MAPTHTTMEN1KMT2A
SCHEMBL12469077 0.79 HTT (0.41) PDK1POLBMAPTHTTMEN1
SCHEMBL12469073 0.78 HTT (0.40) PDK1POLBHTTMEN1KMT2A
SCHEMBL15419531 0.78 HTT (0.39) PDK1POLBMAPTHTTMEN1
SCHEMBL12468783 0.77 MEN1 (0.40) PDK1MAPTHTTMEN1KMT2A
SCHEMBL12468827 0.77 MAPT (0.59) POLBMAPTTHRBHTTMEN1
SCHEMBL12468837 0.77 MAPT (0.52) POLBMAPTTHRBGAAAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 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 (3 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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA PDK1 3075/4885POLB 970/4885MAPT 2582/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA PDK1 3075/4885POLB 970/4885MAPT 2582/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA PDK1 3075/4885POLB 970/4885MAPT 2582/4885

“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.