SCHEMBL2551435

SCHEMBL2551435

Cc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)c(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.50
▸ ERN1 O75460 3/20 0.49
▸ CD274 Q9NZQ7 8/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HPGDS O60760 3/20 0.49
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14930164 0.90 ERN1 (0.49) ERN1CD274ALDH1A1HTR1AMAOA
SCHEMBL14916353 0.87 HPGDS (0.56) ERN1CD274ALDH1A1HTR1AMAOA
SCHEMBL2566555 0.84 ERN1 (0.45) TNKS2ERN1ALDH1A1HPGDKMT2A
SCHEMBL14924982 0.83 ERN1 (0.48) ERN1ALDH1A1HPGDKMT2A
SCHEMBL30406322 0.83 ERN1 (0.48) ERN1ALDH1A1HPGDKMT2A
SCHEMBL14930195 0.83 CD274 (0.49) ERN1CD274ALDH1A1HTR1AMAOA
SCHEMBL16724770 0.82 HPGDS (0.54) ERN1CD274ALDH1A1HTR1AMAOA
SCHEMBL30406116 0.81 HPGDS (0.54) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL14916579 0.81 HPGDS (0.54) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL14930117 0.80 CD274 (0.53) ERN1CD274ALDH1A1HPGDSHPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 — — CN disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 — — EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — 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 (5 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 TNKS2 1769/4885ERN1 1/4885CD274 3415/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 TNKS2 1519/4885ERN1 2/4885CD274 2865/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TNKS2 1769/4885ERN1 1/4885CD274 3415/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 TNKS2 1519/4885ERN1 2/4885CD274 2865/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 TNKS2 1917/4885ERN1 1/4885CD274 3529/4885

“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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