SCHEMBL21730132

SCHEMBL21730132

Cn1cc2ncc(C(F)(F)F)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.38
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 3/20 0.36
MAOB P27338 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.35
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MET P08581 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL24989815 0.84 KDM4E (0.33) ALDH1A1KDM4ENSD2MAPT
SCHEMBL25670732 0.78 POLB (0.38) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL15344218 0.73 CYP1A2 (0.39) ALDH1A1KDM4EPOLBNSD2MAPT
SCHEMBL31344825 0.72 MAPT (0.52) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL20138122 0.72 HSD17B10 (0.38) ALDH1A1KDM4EKMT2ASMN1; SMN2POLB
SCHEMBL22946633 0.71 KDM4E (0.56) ALDH1A1KDM4EKMT2APKMMEN1
SCHEMBL29538839 0.69 GRM5 (0.45) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL15714121 0.69 GRM5 (0.45) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL21730118 0.67 MAPT (0.42) ALDH1A1KDM4EKMT2AMETNSD2
SCHEMBL21604631 0.67 HPGD (0.35) ALDH1A1KDM4EMAOBNSD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 WO disclosed
WO-2021219810-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-11-04 WO disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 US disclosed
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-20 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-11058115-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 ALDH1A1 817/4885KDM4E 2375/4885KMT2A 3200/4885
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 ALDH1A1 817/4885KDM4E 2375/4885KMT2A 3200/4885

“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.