SCHEMBL995725

SCHEMBL995725

O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 1.00
HDAC1 Q13547 10/20 0.69
HDAC3 O15379 7/20 0.69
HDAC2 Q92769 7/20 0.69
HDAC4 P56524 5/20 0.69
HDAC7 Q8WUI4 5/20 0.69
HDAC10 Q969S8 5/20 0.69
HDAC11 Q96DB2 5/20 0.69
HDAC8 Q9BY41 5/20 0.69
HDAC6 Q9UBN7 5/20 0.69
HDAC9 Q9UKV0 5/20 0.69
HDAC5 Q9UQL6 5/20 0.69
KDM1A O60341 1/20 0.68
CYP3A4 P08684 1/20 0.68
F3 P13726 1/20 0.68
NCOR2 Q9Y618 1/20 0.68
KCNH2 Q12809 1/20 0.63

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
SCHEMBL12633524 0.94 NAMPT (0.89) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL12090170 0.89 NAMPT (0.81) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL12090295 0.88 NAMPT (0.79) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL996878 0.87 NAMPT (0.78) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL998206 0.85 NAMPT (1.00) NAMPT
SCHEMBL1435653 0.84 HDAC1 (0.73) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL1435352 0.83 NAMPT (0.71) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL7742679 0.82 NAMPT (0.68) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL968903 0.82 POLB (0.71) NAMPT
SCHEMBL5790114 0.82 HDAC1 (0.74) NAMPTHDAC1HDAC3HDAC2HDAC4

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
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
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP 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
CN-103327972-A Substituted benzamides and their uses UNIV LELAND STANFORD JUNIOR 2013-09-25 CN 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
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 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
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 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 (4 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 NAMPT 199/4885HDAC1 512/4885HDAC3 204/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NAMPT 624/4885HDAC1 697/4885HDAC3 182/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA NAMPT 199/4885HDAC1 512/4885HDAC3 204/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA NAMPT 199/4885HDAC1 512/4885HDAC3 204/4885

“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.