SCHEMBL21799396

SCHEMBL21799396

O=C(O)c1nn(-c2cccnc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.49
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
LRRK2 Q5S007 9/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL21799424 0.91 SGMS2 (0.47) SGMS2CYP11B1CYP11B2CYP19A1LRRK2
SCHEMBL21799397 0.87 NPC1 (0.54) SGMS2CYP11B1CYP11B2LRRK2KMT2A
SCHEMBL21799368 0.81 NPC1 (0.39) KMT2AALDH1A1HTTMEN1
SCHEMBL4718330 0.76 PTGER1 (0.49) KMT2ALMNAMEN1
SCHEMBL10290923 0.76 KMT2A (0.48) KMT2ATDP1ALDH1A1HPGDNPSR1
SCHEMBL28308385 0.75 ALDH1A1 (0.51) KMT2AALDH1A1HTTHPGD
SCHEMBL168289 0.75 DGAT1 (0.45) CYP11B1CYP11B2CYP19A1KMT2ALMNA
Hydrochloric Acid SCHEMBL518722 0.75 KMT2A (0.47) KMT2ATDP1ALDH1A1HPGDNPSR1
SCHEMBL28308383 0.74 CYP1A2 (0.48) CYP11B1CYP11B2KMT2ALMNAALDH1A1
SCHEMBL20239588 0.72 NPC1 (0.51) KMT2AALDH1A1NPSR1MEN1

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 SGMS2 2580/4885CYP11B1 1719/4885CYP11B2 1806/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 SGMS2 2580/4885CYP11B1 1719/4885CYP11B2 1806/4885

“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.