SCHEMBL14925261

SCHEMBL14925261

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 7/20 0.55
GAA P10253 5/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 4/20 0.55
MAPK1 P28482 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 2/20 0.55
BLM P54132 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NSD2 O96028 1/20 0.55
LMNA P02545 1/20 0.55
CASP6 P55212 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
CSNK2A1 P68400 1/20 0.49
HSD17B3 P37058 3/20 0.44
GPR35 Q9HC97 1/20 0.41
MCL1 Q07820 3/20 0.40
AKR1B1 P15121 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL14925262 0.81 MCL1 (0.56) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2552672 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL14925278 0.76 NQO1 (0.49) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2553278 0.74 HSD17B3 (0.75) ALDH1A1KDM4EGAAHPGDHTT
SCHEMBL10602309 0.74 NQO1 (0.49) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL10847401 0.74 HSD17B3 (0.56) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL17716549 0.74 KDM4E (0.66) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL22031603 0.72 ALDH1A1 (0.74) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL3426822 0.72 MAOA (0.49) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL27617272 0.72 HSD17B3 (0.61) ALDH1A1KDM4EGAAMAPTHPGD

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 2950/4885GAA 809/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885KDM4E 2950/4885GAA 809/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885GAA 798/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885KDM4E 2950/4885GAA 809/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885KDM4E 2619/4885GAA 798/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885KDM4E 2975/4885GAA 638/4885

“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.