SCHEMBL14916683

SCHEMBL14916683

CN1CCN(C(=O)c2ccc(-c3nc4ccc(O)cc4s3)s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ PKM P14618 1/20 0.56
▸ CLK1 P49759 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ DYRK1B Q9Y463 1/20 0.53
▸ ERN1 O75460 2/20 0.48
▸ HRH4 Q9H3N8 3/20 0.46
▸ MAOB P27338 2/20 0.44
▸ SULT1A1 P50225 1/20 0.43
▸ APP P05067 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.42

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
SCHEMBL30405538 1.00 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL14925267 0.86 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL14925266 0.78 CLK1 (0.56) ALDH1A1RAB9AMAPTKDM4ELMNA
SCHEMBL2554440 0.78 APP (0.54) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL14916183 0.77 ERN1 (0.61) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL4929202 0.70 KDM4E (0.65) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL3468735 0.69 AR (0.70) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
Acetic Acid SCHEMBL2099175 0.68 APP (0.53) MAPTSULT1A1APP
SCHEMBL2549277 0.68 SULT1A1 (0.53) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL30406206 0.68 SULT1A1 (0.53) ALDH1A1NPC1RAB9AMAPTKDM4E

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 32 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-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-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-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-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 — — CN 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 ALDH1A1 2024/4885NPC1 822/4885RAB9A 1146/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885NPC1 628/4885RAB9A 1149/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885NPC1 822/4885RAB9A 1146/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885NPC1 628/4885RAB9A 1149/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885NPC1 705/4885RAB9A 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.

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