SCHEMBL23782827

SCHEMBL23782827

COc1c(Br)cnc2c1CCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 7/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 1/20 0.31
HPGD P15428 3/20 0.31
BRAF P15056 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL23782930 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10286623 0.84 BRD4 (0.39) KDM4EBRD4ALDH1A1MAPTNPSR1
SCHEMBL18152970 0.77 GABRA1 (0.35) KDM4EALDH1A1MAPTGAA
SCHEMBL23783013 0.76 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL10286620 0.73 ALDH1A1 (0.39) KDM4EBRD4ALDH1A1MAPTNPSR1
SCHEMBL20478507 0.72 KDM4E (0.46) KDM4EBRD4ALDH1A1MAPTNPSR1
SCHEMBL883080 0.71 HSD17B10 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23783073 0.71 KDM4E (0.54) KDM4EBRD4ALDH1A1MAPTNPSR1
SCHEMBL10286587 0.69 PLK1 (0.33) KDM4EBRD4ALDH1A1MAPTHPGD
SCHEMBL883077 0.69 ALDH1A1 (0.42) KDM4EBRD4ALDH1A1MAPTNPSR1

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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 KDM4E 1401/4885BRD4 267/4885ALDH1A1 1904/4885

“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.