SCHEMBL2724973

SCHEMBL2724973

COC(=O)c1c(O)cc(O)c(Cl)c1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
ACHE P22303 1/20 0.53
HPGD P15428 1/20 0.50
HSP90B1 P14625 8/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HSP90AA1 P07900 5/20 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
SCHEMBL28606009 0.83 CYP3A4 (0.50) CYP3A4ACHEHPGDHSP90B1CA12
SCHEMBL9244025 0.82 CYP3A4 (0.58) CYP3A4ACHEHPGDCA12CA1
SCHEMBL12154778 0.79 CYP3A4 (0.58) CYP3A4ACHEHPGDCA12CA1
SCHEMBL14902412 0.79 CYP3A4 (0.50) CYP3A4ACHEHPGD
SCHEMBL2733926 0.79 CYP3A4 (0.48) CYP3A4ACHEHPGDCA12CA1
SCHEMBL11595166 0.76 CYP3A4 (0.56) CYP3A4ACHEHPGDHSP90B1CA12
SCHEMBL6492470 0.76 CA12 (0.59) CYP3A4ACHEHPGDHSP90B1CA12
SCHEMBL8987550 0.76 HSP90B1 (0.56) HSP90B1HSP90AA1
SCHEMBL8987548 0.76 HSP90B1 (0.53) HSP90B1HSP90AA1
SCHEMBL12553003 0.76 CYP3A4 (0.59) CYP3A4ACHEHPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857010-B1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR INST OF MITOCHONDRIA SCIENCE INC (JP) 2018-07-04 EP disclosed
EP-2857010-B1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR INST OF MITOCHONDRIA SCIENCE INC (JP) 2018-07-04 EP disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 US disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 US disclosed
US-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI INC. (JP) 2015-06-18 US disclosed
US-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI INC. (JP) 2015-06-18 US disclosed
EP-2857010-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI Inc. (JP) 2015-04-08 EP disclosed
EP-2857010-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI Inc. (JP) 2015-04-08 EP disclosed
WO-2013180140-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR エヌエーアイ株式会社 (JP) 2013-12-05 WO disclosed
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2013-11-07 US disclosed
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2013-11-07 US disclosed
EP-2636663-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT aRigen Pharmaceuticals, Inc. (JP) 2013-09-11 EP disclosed
EP-2636663-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT aRigen Pharmaceuticals, Inc. (JP) 2013-09-11 EP disclosed
WO-2012060387-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT アリジェン製薬株式会社 (JP) 2012-05-10 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-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD CYP3A4 1657/4885ACHE 4549/4885HPGD 96/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 CYP3A4 219/4885ACHE 1464/4885HPGD 830/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD CYP3A4 1517/4885ACHE 4466/4885HPGD 97/4885

“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.