SCHEMBL17801765

SCHEMBL17801765

CSCc1n[nH]c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
MTNR1B P49286 1/20 0.38
GFER P55789 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NOTUM Q6P988 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL8593320 0.77
SCHEMBL2509606 0.75
SCHEMBL2511334 0.75
SCHEMBL16801141 0.75
SCHEMBL20107910 0.72 POLB (0.39) MTNR1BALDH1A1KMT2ANOTUM
SCHEMBL24666166 0.71 ATM (0.39) MTNR1B
Hydrochloric Acid SCHEMBL21853489 0.71 MTNR1B (0.37) MTNR1BGFERALDH1A1GAA
SCHEMBL24666173 0.71 MAPT (0.39) MTNR1BALDH1A1KMT2AKDM4E
SCHEMBL9828468 0.69 MTNR1B (0.39) MTNR1BALDH1A1GAAL3MBTL1KMT2A
SCHEMBL24127745 0.68 PARP1 (0.38) MTNR1BGFERALDH1A1IDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 GLA 3638/4885MTNR1B 3975/4885GFER 2674/4885

“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.