SCHEMBL12675652

SCHEMBL12675652

CN1CCN(c2ncc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 19/20 0.62
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL21763371 0.82 TDP1 (0.49) ERN1TDP1
SCHEMBL12675304 0.82 ERN1 (0.60) ERN1
SCHEMBL12675631 0.81 ERN1 (0.58) ERN1
SCHEMBL12767181 0.76 ERN1 (1.00) ERN1
SCHEMBL29358294 0.76 ERN1 (1.00) ERN1
SCHEMBL30186863 0.76 ERN1 (1.00) ERN1
SCHEMBL12674899 0.76 ERN1 (0.71) ERN1
SCHEMBL12674881 0.76 ERN1 (0.56) ERN1
SCHEMBL21763673 0.75 ERN1 (0.70) ERN1
SCHEMBL21763598 0.74 ERN1 (0.53) ERN1

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
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 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 (3 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-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TDP1 446/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TDP1 446/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TDP1 446/4885

“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.