SCHEMBL2554433

SCHEMBL2554433

CCOC(=O)CSc1nc2ccc(OC)cc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
CYP1A2 P05177 6/20 0.67
CYP2D6 P10635 6/20 0.67
CYP2C19 P33261 6/20 0.67
CYP3A4 P08684 5/20 0.67
CYP2C9 P11712 5/20 0.67
CYP2E1 P05181 4/20 0.67
CYP2C8 P10632 4/20 0.67
CYP2B6 P20813 4/20 0.67
FPR2 P25090 2/20 0.65
MAPT P10636 2/20 0.65
CLK1 P49759 1/20 0.65
FPR1 P21462 1/20 0.65
PRMT5 O14744 2/20 0.64
WDR77 Q9BQA1 2/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
ALPL P05186 1/20 0.63

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
SCHEMBL30406237 1.00 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4674353 0.88 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL5391948 0.86 CYP1A2 (0.76) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL27203365 0.81 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL944312 0.81 POLB (0.72) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL4674103 0.79 NPC1 (0.55) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4675296 0.78 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4675291 0.78 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL5391945 0.77 CYP1A2 (0.63) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL9743301 0.77 CYP2E1 (0.76) NPC1RAB9ACYP1A2CYP2D6CYP2C19

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 NPC1 822/4885RAB9A 1146/4885CYP1A2 2785/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NPC1 628/4885RAB9A 1149/4885CYP1A2 2509/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 NPC1 822/4885RAB9A 1146/4885CYP1A2 2785/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NPC1 628/4885RAB9A 1149/4885CYP1A2 2509/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 NPC1 705/4885RAB9A 1093/4885CYP1A2 2700/4885

“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.