SCHEMBL21799412

SCHEMBL21799412

CCOC(=O)c1nn(-c2cccnc2)cc1OCC(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 6/20 0.47
DGAT1 O75907 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL21799410 0.85 IRAK4 (0.43) NPC1RAB9ADGAT1ALDH1A1SMN1; SMN2
SCHEMBL24505868 0.83 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL21799389 0.83 NPC1 (0.48) NPC1RAB9ADGAT1LMNAALDH1A1
SCHEMBL21799397 0.82 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL23234382 0.81 NPC1 (0.44) NPC1RAB9ADGAT1LMNAALDH1A1
SCHEMBL29050891 0.80 NPC1 (0.46) NPC1RAB9ADGAT1LMNAALDH1A1
SCHEMBL19019666 0.78 NPC1 (0.74) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29413953 0.78 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL22983017 0.78 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30662294 0.78 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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 5 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
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 NPC1 3658/4885RAB9A 166/4885DGAT1 1701/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 NPC1 3658/4885RAB9A 166/4885DGAT1 1701/4885

“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.