SCHEMBL12767095

SCHEMBL12767095

O=Cc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 1.00
▸ CD274 Q9NZQ7 4/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C19 P33261 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ EPHX2 P34913 1/20 0.55
▸ MAP4K4 O95819 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ HPGDS O60760 1/20 0.54
▸ PIK3CD O00329 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ POLB P06746 1/20 0.53

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
SCHEMBL12767096 0.90 ERN1 (1.00) ERN1MAP4K4
SCHEMBL13982252 0.82 ERN1 (0.70) ERN1
SCHEMBL18717398 0.81 ERN1 (0.68) ERN1
SCHEMBL14924952 0.81 ERN1 (0.68) ERN1CD274HPGDCYP2C19CYP2C9
SCHEMBL12767092 0.79 ERN1 (1.00) ERN1HPGDPOLB
SCHEMBL9312802 0.79 CYP2C19 (0.71) ERN1CD274HPGDCYP2C19CYP2C9
SCHEMBL12767878 0.78 ERN1 (1.00) ERN1HPGD
SCHEMBL14924895 0.78 ERN1 (0.63) ERN1CD274HPGDCYP2C19CYP2C9
SCHEMBL5578088 0.77 ERN1 (0.71) ERN1HPGDCYP2C19CYP2C9EPHX2
SCHEMBL9312796 0.77 CYP2C19 (0.70) ERN1CD274HPGDCYP2C19CYP2C9

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-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
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
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 3/4885CD274 3483/4885HPGD 1032/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885CD274 3483/4885HPGD 1032/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885CD274 3483/4885HPGD 1032/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885CD274 3483/4885HPGD 1032/4885

“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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