SCHEMBL8568346

SCHEMBL8568346

COc1ccc(Sc2ccc(C#N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.65
MAOA P21397 4/20 0.65
PTGIR P43119 5/20 0.49
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GSK3B P49841 1/20 0.43
APP P05067 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SNCA P37840 1/20 0.41

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
SCHEMBL103904 0.87 MAOB (0.61) MAOBMAOAMAPTMEN1KMT2A
1,4-Dimethoxybenzene SCHEMBL28617696 0.87 MAOB (0.61) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL30757515 0.87 MAOB (0.61) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL30250275 0.85 MAOA (0.59) MAOBMAOAMEN1KMT2ACA12
SCHEMBL7288433 0.83 HTR2C (0.51) MAOBMAOAPTGIRMAPTMEN1
SCHEMBL920849 0.83 MAOA (0.58) MAOBMAOAPTGIRGSK3B
SCHEMBL482369 0.82 CA1 (0.65) PTGIRMAPTMEN1KMT2ACA12
SCHEMBL3394075 0.82 MAOB (0.81) MAOBMAOACA12CA2CA9
SCHEMBL3419967 0.81 MAOA (0.56) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL921496 0.81 MAOA (0.56) MAOBMAOAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108347936-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2021-04-20 CN disclosed
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
US-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 US disclosed
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents ANACOR PHARMACEUTICALS INC (US) 2018-10-11 US disclosed
EP-3367798-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-09-05 EP disclosed
CN-108347936-A Kill microorganism oxadiazole derivatives 先正达参股股份有限公司 2018-07-31 CN disclosed
WO-2017072247-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-04 WO disclosed
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
EP-0451007-B1 Sulphonylphenyl-beta-D-thioxylosides, process for their preparation and their use in therapy FOURNIER IND & SANTE (FR) 1995-11-08 EP disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed
EP-0271195-B1 SUBSTITUTED TRIAZINE DERIVATIVES Horsell Plc (GB) 1992-04-22 EP disclosed
US-5100913-A Venous antithrombotics FOURNIER INDUSTRIE ET SANTE (FR) 1992-03-31 US disclosed
EP-0451007-A1 Sulphonylphenyl-beta-D-thioxylosides, process for their preparation and their use in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1991-10-09 EP disclosed
US-4912218-A Substituted triazine derivatives COOKSON GROUP PLC (GB) 1990-03-27 US disclosed
EP-0271195-A1 Substituted triazine derivatives Horsell Plc (GB) 1988-06-15 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 (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-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF MAOB 887/4885MAOA 2800/4885PTGIR 490/4885
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF MAOB 887/4885MAOA 2800/4885PTGIR 490/4885
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents NFKBIA, TNF, LITAF MAOB 887/4885MAOA 2800/4885PTGIR 490/4885
US-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 MAOB 1078/4885MAOA 866/4885PTGIR 2229/4885

“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.