SCHEMBL14924895

SCHEMBL14924895

Cc1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(=O)oc2c(C=O)c(O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.63
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL14916353 0.90 HPGDS (0.56) ERN1POLBHPGDSHPGDCD274
SCHEMBL16724770 0.84 HPGDS (0.54) ERN1POLBHPGDSHPGDCD274
SCHEMBL14924898 0.83 ERN1 (0.63) ERN1KMT2AHPGDMAPTMEN1
SCHEMBL14930118 0.79 HPGDS (0.55) ERN1POLBHPGDSHPGDCD274
SCHEMBL2551435 0.79 TNKS2 (0.50) ERN1POLBKMT2AHPGDSHPGD
SCHEMBL14930164 0.79 ERN1 (0.49) ERN1POLBKMT2AHPGDSHPGD
SCHEMBL14924952 0.78 ERN1 (0.68) ERN1CYP2C19CYP2C9POLBHPGDS
SCHEMBL23188353 0.78 HPGDS (0.58) ERN1POLBKMT2AHPGDSHPGD
SCHEMBL19068940 0.78 HPGDS (0.58) POLBHPGDSHPGDCD274
SCHEMBL12767095 0.78 ERN1 (1.00) ERN1CYP2C19CYP2C9POLBHPGDS

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 17 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-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-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-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

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 ERN1 1/4885CYP2C19 3562/4885CYP2C9 3722/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885CYP2C19 3562/4885CYP2C9 3722/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885CYP2C19 3368/4885CYP2C9 3599/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885CYP2C19 3562/4885CYP2C9 3722/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885CYP2C19 3368/4885CYP2C9 3599/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885CYP2C19 3447/4885CYP2C9 3665/4885

“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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