SCHEMBL14925262

SCHEMBL14925262

Cc1c(Br)c(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.56
LMNA P02545 2/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.51
BLM P54132 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NSD2 O96028 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP6 P55212 1/20 0.51
TP53 P04637 2/20 0.49

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
SCHEMBL9211053 0.87 MCL1 (0.63) MCL1LMNAPPARGNCOA2NPSR1
SCHEMBL10744925 0.84 HSD17B3 (0.62) MCL1LMNAPPARGNCOA2NPSR1
SCHEMBL14925294 0.84 ALDH1A1 (0.44) MCL1LMNAPPARGNCOA2NPSR1
SCHEMBL14925261 0.81 ALDH1A1 (0.55) MCL1LMNAPPARGNCOA2RXFP1
SCHEMBL2552672 0.79 ALDH1A1 (0.52) MCL1LMNAPPARGNCOA2RXFP1
SCHEMBL14930132 0.79 KDM4E (0.64) LMNAPPARGNCOA2RXFP1KDM4E
SCHEMBL14925278 0.76 NQO1 (0.49) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL5431415 0.76 ERAP1 (0.65) MCL1LMNAPPARGNCOA2NPSR1
SCHEMBL2553278 0.74 HSD17B3 (0.75) MCL1LMNANPSR1RXFP1KDM4E
SCHEMBL10847401 0.74 HSD17B3 (0.56) LMNAKDM4EALDH1A1GAAMAPT

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 MCL1 873/4885LMNA 2261/4885PPARG 3608/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 MCL1 873/4885LMNA 2261/4885PPARG 3608/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 MCL1 747/4885LMNA 2296/4885PPARG 3464/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 MCL1 873/4885LMNA 2261/4885PPARG 3608/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 MCL1 747/4885LMNA 2296/4885PPARG 3464/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 MCL1 958/4885LMNA 1903/4885PPARG 3516/4885

“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.