Sugi Predict

Sugi Predict / Compounds / SCHEMBL2554545

SCHEMBL2554545

SCHEMBL2554545

Cc1nc(Br)sc1C(=O)NC1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ STAT3 P40763 1/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SSTR4 P31391 4/20 0.40
▸ AURKB Q96GD4 2/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL1898830 1.00 LMNA (0.48) LMNAGAASTAT3CHRM4KMT2A
SCHEMBL1898794 0.86 LMNA (0.51) LMNAGAACHRM4KDM4EALDH1A1
SCHEMBL3542197 0.85 ALDH1A1 (0.54) LMNAGAASTAT3CHRM4KMT2A
SCHEMBL1900185 0.82 LMNA (0.49) LMNAGAACHRM4KMT2AKDM4E
Hydrochloric Acid SCHEMBL1900272 0.81 LMNA (0.48) LMNAGAACHRM4KMT2AKDM4E
SCHEMBL1899913 0.80 LMNA (0.53) LMNAGAAKMT2AMEN1ALDH1A1
SCHEMBL3400002 0.76 PPARA (0.54) LMNAGAACHRM4KMT2AMEN1
SCHEMBL3404075 0.75 PPARA (0.58) LMNAGAAKMT2AMEN1ALDH1A1
SCHEMBL3402266 0.75 PPARA (0.49) LMNAGAACHRM4KMT2AMEN1
SCHEMBL13071969 0.75 CHRM4 (0.54) LMNAGAACHRM4KMT2AMEN1

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 30 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-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 — — 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-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 — — US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — 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
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-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — WO 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 (7 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 LMNA 2261/4885GAA 809/4885STAT3 1808/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 LMNA 2296/4885GAA 798/4885STAT3 1413/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 LMNA 2261/4885GAA 809/4885STAT3 1808/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 LMNA 2296/4885GAA 798/4885STAT3 1413/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 LMNA 1903/4885GAA 638/4885STAT3 1913/4885
US-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 LMNA 2347/4885GAA 602/4885STAT3 763/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 LMNA 2347/4885GAA 602/4885STAT3 763/4885

“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.