SCHEMBL883082

SCHEMBL883082

O=C1CCCc2cc(Br)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
KMT2A Q03164 3/20 0.33
DYRK1A Q13627 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
PRKCI P41743 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL29561118 1.00 MAOA (0.36) MAOAMAOBKMT2ADYRK1AMAPK1
SCHEMBL16043515 0.89 DYRK1A (0.35) KMT2ADYRK1AAURKADAPK3JAK2
SCHEMBL12696394 0.78 NOS3 (0.37) MAOAMAOBKMT2AMAPK1MEN1
SCHEMBL10271348 0.78 MAOA (0.37) MAOAMAOBKMT2AMAPK1MEN1
SCHEMBL883070 0.78 KMT2A (0.39) MAOAMAOBKMT2AMAPK1MEN1
SCHEMBL10271350 0.78 MAOA (0.49) MAOAMAOBKMT2AMAPK1MEN1
SCHEMBL29337232 0.76 DYRK1A (0.33) KMT2ADYRK1AAURKADAPK3JAK2
SCHEMBL15070852 0.75 KDM4E (0.36) MAOAMAOBKMT2AMAPK1MEN1
SCHEMBL4761258 0.74 EGFR (0.38) MAOAMAOBKMT2AMEN1CDK5
SCHEMBL12273215 0.74 CYP11B2 (0.41) MAOAMAOBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 CN disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
EP-2223919-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2010-09-01 EP disclosed
US-20080090865-A1 Antidiabetic Bicyclic Compounds MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-20080090865-A1 Antidiabetic Bicyclic Compounds MERCK SHARP & DOHME CORP. 2008-04-17 US 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MAOA 1139/4885MAOB 926/4885KMT2A 361/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO MAOA 334/4885MAOB 473/4885KMT2A 1808/4885
US-20080090865-A1 Antidiabetic Bicyclic Compounds GPR119, GPR65, FFAR4 MAOA 4135/4885MAOB 3748/4885KMT2A 2318/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL MAOA 1942/4885MAOB 774/4885KMT2A 346/4885

“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.