SCHEMBL23375700

SCHEMBL23375700

C[C@H](NC(=O)c1cc(Cl)cc(C2(C#N)CC2)c1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 6/20 0.37
▸ SORT1 Q99523 6/20 0.37
▸ WDR5 P61964 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCKBR P32239 2/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL21484194 1.00 GRN (0.37) GRNSORT1WDR5CNR1CNR2
SCHEMBL23976730 0.79 PARP1 (0.39) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL8802498 0.79 GRN (0.54) GRNSORT1RAB9ACCKBRHPGDS
SCHEMBL21486502 0.76 OPRM1 (0.38) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL21462335 0.76 RAPGEF3 (0.41) WDR5CNR2MEN1NPC1RAB9A
SCHEMBL29672156 0.76 RAPGEF3 (0.41) WDR5CNR2MEN1NPC1RAB9A
SCHEMBL22926217 0.75 TPMT (0.50) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL29639686 0.75 TPMT (0.50) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL23358755 0.74 GRN (0.46) GRNSORT1MEN1KMT2AHPGDS
SCHEMBL21466189 0.74 GRN (0.46) GRNSORT1MEN1KMT2AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — 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 (1 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-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 GRN 4273/4885SORT1 4743/4885WDR5 884/4885

“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.

Send feedback