SCHEMBL2331741

SCHEMBL2331741

O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 1.00
RAB9A P51151 3/20 1.00
MAPT P10636 3/20 1.00
NPC1 O15118 2/20 1.00
GAA P10253 1/20 1.00
ALOX12 P18054 1/20 1.00
ESR1 P03372 1/20 0.81
SHBG P04278 1/20 0.81
ESR2 Q92731 1/20 0.81
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 1/20 0.71
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 2/20 0.66
CYP3A4 P08684 1/20 0.66
ATM Q13315 1/20 0.66
ALOX5 P09917 1/20 0.61
HSP90AB1 P08238 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL30204024 1.00 LMNA (1.00) LMNARAB9AMAPTNPC1GAA
SCHEMBL6220484 0.90 LMNA (0.81) LMNARAB9AMAPTNPC1GAA
SCHEMBL312243 0.90 ESR1 (1.00) LMNARAB9AMAPTNPC1GAA
SCHEMBL30503014 0.90 ESR1 (1.00) LMNARAB9AMAPTNPC1GAA
SCHEMBL29514772 0.83 ESR1 (0.81) LMNARAB9AMAPTNPC1GAA
SCHEMBL3958571 0.83 LMNA (1.00) LMNARAB9AMAPTNPC1GAA
SCHEMBL3586687 0.83 ESR1 (0.81) LMNARAB9AMAPTNPC1GAA
SCHEMBL22672221 0.83 ESR1 (0.81) LMNARAB9AMAPTNPC1GAA
SCHEMBL38652384 0.83 ESR1 (0.81) LMNARAB9AMAPTNPC1GAA
SCHEMBL3820741 0.83 ESR1 (0.81) LMNARAB9AMAPTNPC1GAA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020231979-A9 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-06-17 WO disclosed
WO-2020231979-A1 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-11-19 WO disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 EP disclosed
US-9187447-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 WO disclosed
EP-1542675-A4 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2008-11-19 EP disclosed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 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 (4 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-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 LMNA 3282/4885RAB9A 812/4885MAPT 3520/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR LMNA 4728/4885RAB9A 3507/4885MAPT 3463/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR LMNA 4728/4885RAB9A 3507/4885MAPT 3463/4885
US-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 LMNA 4826/4885RAB9A 2663/4885MAPT 4138/4885

“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.