SCHEMBL513475

SCHEMBL513475

COc1c(C)nn(C)c(=O)c1Br

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.33
CDK8 P49336 1/20 0.33
ACVR1 Q04771 1/20 0.33
PTPN1 P18031 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ELANE P08246 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL14844458 0.73 KDM4E (0.39) CDK8ACVR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL514515 0.72 CDK8 (0.35) CDK8ACVR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL22500189 0.70 MAPT (0.38) CDK8ACVR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL18308883 0.69 ADORA2A (0.32) NMT1SMN1; SMN2KDM4EMAPT
SCHEMBL15353574 0.68 GAA (0.32) ALDH1A1RAB9A
SCHEMBL12906309 0.67 CDK8 (0.42) CDK8ACVR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL15478679 0.67 ADORA2A (0.31) NMT1
SCHEMBL21737447 0.67 FPR2 (0.32) NMT1
SCHEMBL20695057 0.67 POLB (0.33) NMT1CDK8ACVR1SMN1; SMN2ALDH1A1
SCHEMBL469902 0.66 CRHR1 (0.34) NMT1CDK8ACVR1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085307-A1 PYRIDAZINONE COMPOUND AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-03-16 US disclosed
CN-108884055-B Pyridazinone compound or salt thereof, and herbicide containing same 石原产业株式会社 2022-07-12 CN disclosed
EP-3949731-A1 PYRIDAZINONE COMPOUND AND HERBICIDE Nissan Chemical Corporation (JP) 2022-02-09 EP disclosed
CN-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed
EP-3438095-B1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA (JP) 2021-06-16 EP disclosed
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-12-22 US disclosed
WO-2020204112-A1 PYRIDAZINONE COMPOUND AND HERBICIDE 日産化学株式会社 2020-10-08 WO disclosed
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-06-04 US disclosed
EP-3438095-A1 PYRIDAZINONE-TYPE COMPOUND OR SALT THEREOF, AND HERBICIDE COMPRISING SAME Ishihara Sangyo Kaisha, Ltd. (JP) 2019-02-06 EP disclosed
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it H1-0, H1-4, H1-3 NMT1 2939/4885CDK8 3694/4885ACVR1 1577/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR NMT1 2490/4885CDK8 3755/4885ACVR1 1220/4885
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT H1-0, H1-4, H1-3 NMT1 2939/4885CDK8 3694/4885ACVR1 1577/4885
US-20230085307-A1 PYRIDAZINONE COMPOUND AND HERBICIDE H1-0, PDXK, H1-4 NMT1 2909/4885CDK8 220/4885ACVR1 1217/4885

“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.