SCHEMBL12468783

SCHEMBL12468783

Cc1oc(-c2ccc(N(Cc3cccnc3)C(=O)C(F)(F)F)cc2)nc1CS(=O)(=O)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK1 Q15118 8/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL15419507 0.91 MEN1 (0.40) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL15419531 0.88 HTT (0.39) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL12469077 0.88 HTT (0.41) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL12469073 0.87 HTT (0.40) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL15419514 0.84 HTT (0.39) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL12468689 0.81 MAPT (0.44) ALDH1A1PDK1KDM4ECYP3A4USP2
Trifluoroacetic Acid SCHEMBL12468781 0.81 MAPT (0.55) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL12468887 0.79 MAPT (0.58) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL12468874 0.78 MAPT (0.50) MEN1KMT2AHTTL3MBTL1MAPT
SCHEMBL12468696 0.77 PDK1 (0.41) MEN1KMT2AHTTL3MBTL1ALDH1A1

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 MEN1 2797/4885KMT2A 459/4885HTT 1666/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA MEN1 2797/4885KMT2A 459/4885HTT 1666/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA MEN1 2797/4885KMT2A 459/4885HTT 1666/4885

“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.