SCHEMBL14925136

SCHEMBL14925136

CN(C)CCNC(=O)CCc1cc2c(C=O)c(O)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ACKR3 P25106 1/20 0.37
DNM1 Q05193 1/20 0.34
MAPK1 P28482 1/20 0.34
LGALS1 P09382 1/20 0.34
CA2 P00918 2/20 0.33
ERN1 O75460 2/20 0.33
WEE1 P30291 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL23188456 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTTACKR3
SCHEMBL14925131 0.85 ERN1 (0.35) ALDH1A1KDM4EERN1HSD17B10TRPV1
SCHEMBL14925130 0.85 CA2 (0.41) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL2552944 0.80 KDM4E (0.53) ALDH1A1KDM4ELMNAHTTACKR3
SCHEMBL30406177 0.80 KDM4E (0.53) ALDH1A1KDM4ELMNAHTTACKR3
SCHEMBL14925135 0.79 ERN1 (0.49) LMNAMAPK1ERN1HSD17B10CYP2C19
SCHEMBL14925134 0.74 ERN1 (0.44) ALDH1A1KDM4ELMNAERN1HSD17B10
SCHEMBL14925132 0.73 ERN1 (0.46) ALDH1A1KDM4EHTTERN1CYP2C19
SCHEMBL30406120 0.71 MAPT (0.42) ALDH1A1KDM4EERN1HSD17B10
SCHEMBL14916377 0.71 MAPT (0.42) ALDH1A1KDM4EERN1HSD17B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 2024/4885KDM4E 2950/4885LMNA 2261/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885KDM4E 2950/4885LMNA 2261/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885LMNA 2296/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885KDM4E 2950/4885LMNA 2261/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885LMNA 2296/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885KDM4E 2975/4885LMNA 1903/4885

“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.