SCHEMBL2568967

SCHEMBL2568967

COC(=O)c1ccc(-c2nc3ccc(OC)c(C=O)c3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ RHEB Q15382 1/20 0.50
▸ TNKS O95271 1/20 0.50
▸ ERN1 O75460 2/20 0.46
▸ CHEK2 O96017 4/20 0.43
▸ ATM Q13315 1/20 0.43

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 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL14930174 0.87 ERN1 (0.51) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL2570516 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL14930123 0.74 ERN1 (0.58) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL2569073 0.72 ERN1 (0.50) ALDH1A1KDM4EHPGDMMP2MMP9
SCHEMBL14437714 0.71 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL2563888 0.71 MMP2 (0.73) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL30406138 0.71 MMP2 (0.73) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL20982471 0.71 MMP2 (0.78) ALDH1A1KDM4ENPC1LMNAPKM
SCHEMBL19604833 0.70 KMT2A (0.45) ALDH1A1KDM4ELMNAHPGDRAB9A

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 27 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-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-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 ALDH1A1 2024/4885KDM4E 2950/4885NPC1 822/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885NPC1 628/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885KDM4E 2950/4885NPC1 822/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885NPC1 628/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885KDM4E 2975/4885NPC1 705/4885

“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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