SCHEMBL21799423

SCHEMBL21799423

NC(=O)c1nn(-c2cccnc2)cc1OC(F)(F)C(F)OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
IRAK4 Q9NWZ3 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
DGAT1 O75907 1/20 0.35
MAPK1 P28482 1/20 0.32
CYP2A6 P11509 1/20 0.32
IKBKB O14920 1/20 0.32
MAT2A P31153 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SARM1 Q6SZW1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 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
SCHEMBL21799374 0.91 SCN9A (0.33) SCN9AIRAK4DGAT1CYP2A6MAT2A
SCHEMBL29050890 0.88 IRAK4 (0.41) SCN9AIRAK4SMN1; SMN2CCNA2CDK2
SCHEMBL21799421 0.84 DGAT1 (0.37) IRAK4DGAT1MAPK1ALDH1A1
SCHEMBL21799369 0.81 SCN9A (0.39) SCN9A
SCHEMBL21799382 0.79 CYP2A6 (0.33) DGAT1CYP2A6MAT2A
SCHEMBL21799410 0.76 IRAK4 (0.43) SCN9AIRAK4SMN1; SMN2CCNA2CDK2
SCHEMBL29050891 0.73 NPC1 (0.46) SMN1; SMN2DGAT1MAPK1KDM4EALDH1A1
SCHEMBL21799433 0.72 IRAK4 (0.46) SCN9AIRAK4SMN1; SMN2CCNA2CDK2
SCHEMBL21799424 0.71 SGMS2 (0.47) IRAK4ALDH1A1
SCHEMBL21799422 0.71 IRAK4 (0.50) IRAK4SMN1; SMN2CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
US-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-25 US disclosed
EP-3623365-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2020-03-18 EP disclosed
CN-110612295-A Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2019-12-24 CN 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-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT H1-3, HDAC3, H1-0 SCN9A 1717/4885IRAK4 3682/4885SMN1; SMN2 4287/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 SCN9A 1717/4885IRAK4 3682/4885SMN1; SMN2 4287/4885

“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.