SCHEMBL14916752

SCHEMBL14916752

O=Cc1c(O)ccc2[nH]c(C(=O)NCCN3CCOCC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 1/20 0.56
ERN1 O75460 2/20 0.55
PARP1 P09874 3/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL30406446 1.00 KDM4E (0.60) KDM4EALDH1A1HSD17B10MAPTERN1
SCHEMBL23188345 0.85 ERN1 (0.46) KDM4EALDH1A1HSD17B10MAPTERN1
SCHEMBL27903991 0.85 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPTERN1
SCHEMBL2568190 0.78 ERN1 (0.56) KDM4EALDH1A1HSD17B10ERN1POLB
SCHEMBL14916494 0.78 ERN1 (0.55) ERN1POLB
SCHEMBL14916230 0.78 LMNA (0.56) KDM4EALDH1A1HSD17B10MAPTERN1
SCHEMBL30406065 0.77 NPC1 (0.44) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL22840481 0.77 KDM4E (0.43) KDM4EALDH1A1HSD17B10MAPTERN1
SCHEMBL2562212 0.77 NPC1 (0.44) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL7894771 0.77 KDM4E (0.74) KDM4EALDH1A1HSD17B10MAPTPARP1

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 31 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-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

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 KDM4E 2950/4885ALDH1A1 2024/4885HSD17B10 2046/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HSD17B10 2082/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885ALDH1A1 2024/4885HSD17B10 2046/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HSD17B10 2082/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885ALDH1A1 2036/4885HSD17B10 2092/4885

“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.