SCHEMBL12767890

SCHEMBL12767890

O=Cc1cc(-c2cccc(C(=O)N3CCCCC3)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 19/20 1.00
▸ POLB P06746 1/20 0.56

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
SCHEMBL12767878 0.88 ERN1 (1.00) ERN1
SCHEMBL12767160 0.81 ERN1 (1.00) ERN1
SCHEMBL18397573 0.81 HPGD (0.74) ERN1POLB
SCHEMBL13783783 0.80 ERN1 (0.67) ERN1POLB
SCHEMBL12674864 0.80 ERN1 (0.98) ERN1
SCHEMBL23440313 0.79 HPGD (0.71) ERN1POLB
SCHEMBL29699833 0.79 HPGD (0.71) ERN1POLB
SCHEMBL18397598 0.79 HPGD (0.71) ERN1POLB
SCHEMBL6638046 0.78 ERN1 (1.00) ERN1POLB
SCHEMBL29952195 0.78 ERN1 (1.00) ERN1POLB

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 18 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-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
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 — — US 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
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
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
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 — — US 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-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
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 — — US 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 3/4885POLB 2970/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885POLB 2970/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885POLB 2970/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885POLB 2970/4885

“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.

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