SCHEMBL21046052

SCHEMBL21046052

CN(C(=O)c1cnc(C=NO)n1C)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 3/20 0.34
MLYCD O95822 1/20 0.34
POLQ O75417 1/20 0.34
HSD17B10 Q99714 5/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21046051 1.00 TRPV1 (0.41) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL19872968 1.00 TRPV1 (0.41) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL21066121 0.91 TRPV1 (0.41) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL22840046 0.90 TRPV1 (0.40) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL19211893 0.87 TRPV1 (0.43) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL21065802 0.87 TRPV1 (0.43) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL20582887 0.87 TRPV1 (0.38) TRPV1NOTUMKDM4EKMT2AMLYCD
SCHEMBL23131138 0.86 TRPV1 (0.42) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL19520551 0.86 TRPV1 (0.42) TRPV1NOTUMKDM4EKMT2ANAMPT
SCHEMBL19211803 0.84 NOTUM (0.37) TRPV1NOTUMKDM4EKMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 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 (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-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX TRPV1 2388/4885NOTUM 544/4885KDM4E 340/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX TRPV1 2388/4885NOTUM 544/4885KDM4E 340/4885

“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.