SCHEMBL21357724

SCHEMBL21357724

CCS(=O)(=O)c1c(C(=O)O)nc2n1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 4/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 5/20 0.37
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MTHFD2 P13995 1/20 0.34
TSHR P16473 1/20 0.33
CYP1A2 P05177 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
SCHEMBL23388117 0.89 MAPK1 (0.44) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL29886433 0.85 MAPT (0.36) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL21357703 0.84 MAPT (0.50) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL23415097 0.78 TP53 (0.36) MAPK1ALDH1A1RAB9APOLBTP53
SCHEMBL23415112 0.78 MAPK1 (0.35) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28468166 0.74 MAPK1 (0.38) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL21363297 0.72 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL24079283 0.72 MAPK1 (0.40) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL19909627 0.72 MAPK1 (0.43) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28470543 0.72 MAPK1 (0.40) MAPK1ALDH1A1MAPTRAB9ANPC1

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
EP-3765466-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
US-20210017193-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
EP-3765466-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-01-20 EP disclosed
WO-2019175046-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 WO disclosed
WO-2019175046-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 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-20210017193-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS CCNB3, C1S, C1R MAPK1 3605/4885ALDH1A1 1703/4885MAPT 3560/4885

“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.