SCHEMBL14930221

SCHEMBL14930221

COC(=O)c1cccc(-c2nc3ccc(OC)cc3[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.65
▸ HPGD P15428 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ TP53 P04637 3/20 0.65
▸ PKM P14618 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ HTT P42858 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ NFKB2 Q00653 2/20 0.64
▸ RELA Q04206 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.60
▸ PRMT5 O14744 1/20 0.57
▸ WDR77 Q9BQA1 1/20 0.57

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
SCHEMBL2563888 0.86 MMP2 (0.73) NPC1HPGDRAB9ATP53PKM
SCHEMBL30406138 0.86 MMP2 (0.73) NPC1HPGDRAB9ATP53PKM
SCHEMBL3335676 0.85 KDM4E (0.74) NPC1HPGDRAB9ATP53PKM
SCHEMBL2617479 0.81 KDM4E (0.71) NPC1HPGDRAB9ATP53PKM
SCHEMBL19970739 0.80 CYP1A2 (0.60) NPC1HPGDRAB9APKMHTT
SCHEMBL20982471 0.79 MMP2 (0.78) NPC1HPGDRAB9APKMHTT
SCHEMBL20445328 0.79 NPC1 (1.00) NPC1HPGDRAB9ATP53PKM
SCHEMBL18229603 0.79 HDAC6 (0.86) HDAC6CHEK2
SCHEMBL14049903 0.79 HDAC6 (0.57) NPC1HPGDRAB9ATP53PKM
SCHEMBL19982567 0.78 KDM4E (0.62) NPC1HPGDRAB9APKMHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 NPC1 822/4885HPGD 649/4885RAB9A 1146/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 NPC1 822/4885HPGD 649/4885RAB9A 1146/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NPC1 628/4885HPGD 807/4885RAB9A 1149/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 NPC1 822/4885HPGD 649/4885RAB9A 1146/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NPC1 628/4885HPGD 807/4885RAB9A 1149/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 NPC1 705/4885HPGD 706/4885RAB9A 1093/4885

“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.

Send feedback