SCHEMBL23782845

SCHEMBL23782845

COc1nc2c(cc1C#N)CCCC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 7/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PGR P06401 1/20 0.37
KDM4E B2RXH2 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 1/20 0.34
NPC1 O15118 1/20 0.33
ALOX15 P16050 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
SCHEMBL23782877 0.82 ALDH1A1 (0.40) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29741021 0.79 SMN1; SMN2 (0.55) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23782851 0.79 SMN1; SMN2 (0.55) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23782889 0.79 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19PGR
SCHEMBL10287327 0.79 ACHE (0.31) HTR2A
SCHEMBL10287384 0.79 HRH4 (0.34)
SCHEMBL29740942 0.76 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19PGR
SCHEMBL30825541 0.74 KDM4E (0.59) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL23782977 0.73 RECQL (0.39) GAAALDH1A1KDM4ECASP1CASP7
SCHEMBL7903020 0.73 SMN1; SMN2 (0.58) GAAALDH1A1KDM4ESMN1; SMN2MEN1

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 GAA 1028/4885ALDH1A1 1904/4885CYP1A2 1951/4885

“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.