SCHEMBL14486022

SCHEMBL14486022

COc1cc(SCc2ccc(C)cc2)cnc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ PIK3CG P48736 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14486608 0.89 MAPT (0.45) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14486725 0.87 MEN1 (0.54) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14486622 0.87 GCK (0.46) MAPTL3MBTL1PIK3CGRAB9ASMN1; SMN2
SCHEMBL14485742 0.85 L3MBTL1 (0.48) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14486615 0.79 PIK3CG (0.44) MAPTL3MBTL1PIK3CGRAB9ASMN1; SMN2
SCHEMBL31294237 0.79 APP (0.49) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14485803 0.79 MAPT (0.44) MAPTL3MBTL1RAB9ASMN1; SMN2CYP1A2
SCHEMBL31294328 0.76 APP (0.49) MAPTL3MBTL1RAB9ANPC1TP53
SCHEMBL14486338 0.76 DAO (0.44) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL14486647 0.76 RAB9A (0.47) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729449-B1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN TAKEDA PHARMACEUTICALS CO (JP) 2017-10-18 — — EP disclosed
EP-2729449-B1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN TAKEDA PHARMACEUTICALS CO (JP) 2017-10-18 — — EP disclosed
US-9180122-B2 5- or 6-substituted 3-hydroxy-2 (1 H)-pyridinones as D-amino acid oxidase (DAAO) inhibitors in therapy of diseases such as schizophrenia, cognitive disorder and pain TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 — — US disclosed
US-9180122-B2 5- or 6-substituted 3-hydroxy-2 (1 H)-pyridinones as D-amino acid oxidase (DAAO) inhibitors in therapy of diseases such as schizophrenia, cognitive disorder and pain TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 — — US disclosed
US-9180122-B2 5- or 6-substituted 3-hydroxy-2 (1 H)-pyridinones as D-amino acid oxidase (DAAO) inhibitors in therapy of diseases such as schizophrenia, cognitive disorder and pain TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 — — US disclosed
US-20140243353-A1 5- OR 6-SUBSTITUTED 3-HYDROXY-2(1H)-PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — US disclosed
US-20140243353-A1 5- OR 6-SUBSTITUTED 3-HYDROXY-2(1H)-PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — US disclosed
US-20140243353-A1 5- OR 6-SUBSTITUTED 3-HYDROXY-2(1H)-PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — US disclosed
EP-2729449-A1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN Takeda Pharmaceutical Company Limited (JP) 2014-05-14 — — EP disclosed
WO-2013004996-A1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 — — WO disclosed
WO-2013004996-A1 5- OR 6 - SUBSTITUTED 3 - HYDROXY - 2 ( 1H) - PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAIN TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 — — 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 (1 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-20140243353-A1 5- OR 6-SUBSTITUTED 3-HYDROXY-2(1H)-PYRIDINONES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS IN THERAPY OF DISEASES SUCH AS SCHIZOPHRENIA, COGNITIVE DISORDER AND PAID DAO, DDO, HAO1 MAPT 1990/4885L3MBTL1 2541/4885PIK3CG 2869/4885

“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.

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