SCHEMBL2569073

SCHEMBL2569073

O=Cc1c(O)ccc2nc(-c3ccc(C(=O)O)cc3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.50
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NR4A2 P43354 1/20 0.46
▸ CHEK2 O96017 7/20 0.45
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MPL P40238 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL2564176 0.85 ALDH1A1 (0.54) ERN1MMP2MMP9MMP8MMP13
SCHEMBL14930162 0.85 ALDH1A1 (0.55) ERN1KDM4EALDH1A1HPGDKMT2A
SCHEMBL22840334 0.85 ERN1 (0.37) ERN1KDM4E
SCHEMBL14916768 0.80 ERN1 (0.51) ERN1ALDH1A1HPGD
SCHEMBL14930122 0.80 ERN1 (0.59) ERN1HPGD
SCHEMBL22840577 0.79 CA12 (0.40) ERN1KDM4EALDH1A1HPGD
SCHEMBL7943519 0.78 KDM4E (0.61) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL28296530 0.77 GSK3B (0.43) ERN1ALDH1A1HPGDKMT2AADORA2A
SCHEMBL21475689 0.77 CHEK2 (0.37) ERN1CHEK2
SCHEMBL22840599 0.77 LMNA (0.46) ALDH1A1

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 ERN1 1/4885MMP2 3541/4885MMP9 3998/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885MMP2 3789/4885MMP9 3705/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885MMP2 3541/4885MMP9 3998/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885MMP2 3789/4885MMP9 3705/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885MMP2 3715/4885MMP9 4118/4885

“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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