SCHEMBL12767046

SCHEMBL12767046

O=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc(F)c1O

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 17/20 0.78
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 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
SCHEMBL12768143 0.87 ERN1 (1.00) ERN1HPGD
SCHEMBL12767104 0.87 ERN1 (1.00) ERN1MEN1KMT2A
SCHEMBL12767047 0.86 ERN1 (0.79) ERN1HPGDMEN1RAB9AKMT2A
SCHEMBL12767042 0.84 ERN1 (1.00) ERN1HPGDMEN1RAB9AKMT2A
SCHEMBL12767878 0.84 ERN1 (1.00) ERN1HPGDMEN1RAB9AKMT2A
SCHEMBL12767827 0.83 ERN1 (1.00) ERN1HPGD
SCHEMBL13982493 0.80 ERN1 (0.65) ERN1
SCHEMBL12767057 0.78 ERN1 (1.00) ERN1
SCHEMBL12767044 0.77 ERN1 (1.00) ERN1
SCHEMBL30792715 0.76 ERN1 (0.59) ERN1KMT2A

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 3/4885HPGD 1032/4885MEN1 3492/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885HPGD 1032/4885MEN1 3492/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885HPGD 1032/4885MEN1 3492/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885HPGD 1032/4885MEN1 3492/4885

“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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