SCHEMBL19783974

SCHEMBL19783974

O=c1cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
SNRNP200 O75643 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAD1 O60671 1/20 0.36
CFTR P13569 1/20 0.36
APEX1 P27695 1/20 0.36
CASP6 P55212 1/20 0.36
RAD51 Q06609 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
GOPC Q9HD26 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19783976 0.87 ADORA2A (0.39) ESR2CYP11B2MAPTKMT2ATLR8
SCHEMBL19783977 0.85 ESR2 (0.41) POLBESR2CYP11B2MDM2MAPT
SCHEMBL19783867 0.85 CYP11B2 (0.37) ESR2CYP11B2TLR8ADORA2ACYP2A6
SCHEMBL19783973 0.84 MAT2A (0.36) ESR2CYP11B2ALDH1A1KDM4ETLR8
SCHEMBL19783854 0.82 TLR8 (0.38) POLBESR2CYP11B2MAPTALDH1A1
SCHEMBL21422259 0.82 ESR2 (0.39) ESR2CYP11B2MAPTALDH1A1TLR8
SCHEMBL19783858 0.82 TLR8 (0.45) ESR2CYP11B2TLR8ADORA2ACYP2A6
SCHEMBL21422279 0.82 ALDH1A1 (0.39) ESR2KDM4CCYP11B2MAPTALDH1A1
SCHEMBL11853019 0.75 TP53 (0.52) TP53MDM2MAPTALDH1A1KMT2A
SCHEMBL19784121 0.74 HIF1A (0.39) CYP11B2ALDH1A1TLR8CYP3A4HIF1A

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
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE POLB 3684/4885ESR2 3670/4885KDM4C 639/4885

“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.