SCHEMBL2502178

SCHEMBL2502178

O=C1[C]=CC=C(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.45
CALM1 P0DP23 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
DAO P14920 2/20 0.35
CTRC Q99895 1/20 0.34
GSTP1 P09211 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
IDH1 O75874 2/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MGLL Q99685 1/20 0.32
TEK Q02763 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL19102829 0.74 CALM1 (0.55) SORT1CALM1DAOBCL2BCL2L1
SCHEMBL6513885 0.64 CALM1 (0.42) SORT1CALM1MAOAMAOBDAO
SCHEMBL23189253 0.63 PLA2G2A (0.49) SORT1CALM1MEN1USP2MAPT
SCHEMBL5236829 0.63 SORT1 (0.47) SORT1CALM1MAOAMAOBDAO
SCHEMBL1923108 0.62 CALM1 (0.58) CALM1DAOBCL2BCL2L1IDH1
SCHEMBL8414683 0.62 CALM1 (0.39) SORT1CALM1MAOAMAOBDAO
SCHEMBL11963994 0.62 SORT1 (1.00) SORT1CALM1MAOAMAOBDAO
SCHEMBL4866616 0.62 CALM1 (0.44) SORT1CALM1MAOAMAOBDAO
SCHEMBL981029 0.60 CALM1 (0.42) SORT1CALM1MAOAMAOBDAO
Diphenylmethane SCHEMBL1303 0.60 CALM1 (1.00) CALM1MAOBBCL2BCL2L1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104163799-A Preparing method of 3-amino-4-isoquinolinecarbonitrile-1(2H)-one derivatives UNIV SOOCHOW 2014-11-26 CN claimed
CN-1787999-A Histone deacetylase inhibitors TAKEDA SAN DIEGO INC (US) 2006-06-14 CN claimed
EP-3921327-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2021-12-15 EP disclosed
WO-2020163642-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA ARDELYX, INC. (US) 2020-08-13 WO disclosed
CN-104163799-B 3-amino-4-Cyanoisoquinoline-1(2H) preparation method of-one derivant 苏州大学 2016-08-17 CN disclosed
CN-104163799-A Preparing method of 3-amino-4-isoquinolinecarbonitrile-1(2H)-one derivatives UNIV SOOCHOW 2014-11-26 CN disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
CN-1972920-A Arylalkyl piperazine derivatives for the treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms WYETH CORP (US) 2007-05-30 CN disclosed
CN-1065874-C Novel peptides, the preparation and use thereof BASF AG (DE) 2001-05-16 CN disclosed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN disclosed
CN-1028143-C Oxazolidinone sterilization composition DU PONT (US) 1995-04-12 CN disclosed
CN-1096157-A Antifungal De oxazolidone DU PONT (US) 1994-12-14 CN disclosed
CN-1095724-A New peptides, its preparation and application BASF AG (DE) 1994-11-30 CN disclosed
CN-1085563-A New peptide and preparation thereof and application BASF AG (DE) 1994-04-20 CN disclosed
CN-1047079-A FUNGICIDAL OXAZOLIDINONES DU PONT (US) 1990-11-21 CN disclosed
EP-0384271-A2 Method for enhancement of chemiluminescence WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-08-29 EP disclosed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN disclosed
EP-0322800-A1 Process for preparation of sulfone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-07-05 EP 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 (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 SORT1 336/4885CALM1 667/4885MAOA 1077/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 SORT1 3294/4885CALM1 2179/4885MAOA 637/4885

“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.