SCHEMBL1897244

SCHEMBL1897244

N#Cc1ccc(Oc2ccc3cc(O)ccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
IL18 Q14116 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL4315032 0.85 CA12 (0.73) CA12CA2CA3CA6CA9
SCHEMBL23386082 0.84 ESR1 (0.62) PARP10MEN1KMT2AESR1ESR2
SCHEMBL23386311 0.82 ESR1 (0.67) PARP10MEN1KMT2AESR1ESR2
SCHEMBL10014247 0.82 ESR1 (0.57) MEN1KMT2AESR1ESR2
SCHEMBL12943389 0.82 CYP11B1 (0.53) CA12CA2CA3CA6CA9
SCHEMBL921076 0.81 CYP19A1 (0.50) CA2PARP15PARP10PARP2MEN1
SCHEMBL19280734 0.81 CYP19A1 (0.50) CA9MEN1KMT2APDE4BESR1
SCHEMBL31453310 0.81 CA2 (0.58) CA12CA2CA3CA6CA9
SCHEMBL1028464 0.81 CA2 (0.58) CA12CA2CA3CA6CA9
SCHEMBL23386131 0.79 ESR1 (0.61) MEN1KMT2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
EP-2496230-A1 IRE-1 ALPHA INHIBITORS MannKind Corporation (US) 2012-09-12 EP disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO 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 (3 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-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 CA12 4775/4885CA2 3135/4885CA3 4186/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 CA12 4775/4885CA2 3135/4885CA3 4186/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 CA12 4775/4885CA2 3135/4885CA3 4186/4885

“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.