SCHEMBL23782736

SCHEMBL23782736

COc1c(C#N)cc2c([n+]1[O-])CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 10/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HSD17B10 Q99714 5/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
GAA P10253 2/20 0.32
PPARG P37231 2/20 0.32
NCOA2 Q15596 2/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL23792824 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23793384 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23782836 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL29740958 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23782959 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL25168149 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL25166904 0.73 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23792018 0.71 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23782765 0.70 ALDH1A1 (0.33) KDM4EALDH1A1APOBEC3GGAA
SCHEMBL527247 0.68 TSHR (0.33) KDM4EALDH1A1MAPTGAATSHR

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-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

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 1401/4885ALDH1A1 1904/4885HPGD 2992/4885

“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.