SCHEMBL23997012

SCHEMBL23997012

CCc1ccc(C(=O)N2CCN(C3COC3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.54
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 3/20 0.52
TRPV6 Q9H1D0 2/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL21958467 0.86 LRRK2 (0.55) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL15651089 0.85 LRRK2 (0.55) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL19227479 0.83 TLR9 (0.60) LRRK2ALDH1A1POLBKDM4ETRPV6
SCHEMBL23997105 0.83 LRRK2 (0.56) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL22280202 0.83 TRPV6 (0.56) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL21738213 0.83 LRRK2 (0.53) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL21738212 0.83 LRRK2 (0.53) LRRK2ALDH1A1POLBCYP2C19KDM4E
SCHEMBL17689131 0.81 HPGD (0.71) ALDH1A1POLBCYP2C19KDM4ELMNA
SCHEMBL23997104 0.80 L3MBTL3 (0.51) LRRK2ALDH1A1KDM4ELMNAHPGD
SCHEMBL23997108 0.76 ALDH1A1 (0.52) ALDH1A1POLBCYP2C19KDM4ETRPV6

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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-11 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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, GDI2 LRRK2 1/4885ALDH1A1 2073/4885POLB 2207/4885

“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.