SCHEMBL12766871

SCHEMBL12766871

O=Cc1cc(C2CC2)cc([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.58
XDH P47989 1/20 0.45

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
SCHEMBL22556892 0.78 GPR35 (0.57)
SCHEMBL29406926 0.78 ESR2 (0.44) ERN1
SCHEMBL831073 0.75 ERN1 (0.67) ERN1
SCHEMBL15783651 0.75 XDH (0.71) ERN1XDH
SCHEMBL29441809 0.75 ERN1 (0.67) ERN1
SCHEMBL13639933 0.74 ERN1 (0.50) ERN1
SCHEMBL10013940 0.73 GPR35 (0.69) ERN1
SCHEMBL928630 0.73 ERN1 (1.00) ERN1XDH
SCHEMBL11210616 0.73 ERN1 (0.65) ERN1
SCHEMBL31730320 0.73 ERN1 (0.65) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
EP-2155643-B1 IRE-1A INHIBITORS MANNKIND CORP (US) 2016-08-10 EP disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
EP-2520561-B1 IRE-1A Inhibitors MANNKIND CORP (US) 2016-02-10 EP disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
EP-2532643-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-12-12 EP disclosed
EP-2520561-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-11-07 EP disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
WO-2008154484-A1 IRE-1A INHIBITORS MANNKIND CORPORATION (US) 2008-12-18 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885XDH 3389/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885XDH 3389/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885XDH 3389/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885XDH 3389/4885

“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.