SCHEMBL23782815

SCHEMBL23782815

CCOC(=O)c1nc2c(o1)CCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 2/20 0.41
BRD4 O60885 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22751693 0.73 ALOX15 (0.33) SMN1; SMN2CYP2C9NPSR1KDM4EALDH1A1
SCHEMBL5367580 0.71 ALDH1A1 (0.38) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL526385 0.70 BRD4 (0.48) SMN1; SMN2NPC1BRD4CYP1A2NLRP3
SCHEMBL28116388 0.70 SMN1; SMN2 (0.73) SMN1; SMN2NPC1BRD4CYP1A2CYP2C9
SCHEMBL18226589 0.69 MAPT (0.44) SMN1; SMN2BRD4CYP1A2CYP2C9KMT2A
SCHEMBL14080048 0.68 ACHE (0.46) NPC1NLRP3KDM4EMAPTALDH1A1
SCHEMBL9802746 0.67 KDM4E (0.50) SMN1; SMN2NPC1CYP1A2KMT2AKDM4E
SCHEMBL10286468 0.67 BRD4 (0.48) SMN1; SMN2NPC1BRD4CYP1A2CYP2C9
SCHEMBL10650222 0.67 NLRP3 (0.48) SMN1; SMN2NPC1CYP1A2NLRP3KMT2A
SCHEMBL12498389 0.67 BRD4 (0.45) SMN1; SMN2NPC1BRD4CYP1A2KMT2A

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 SMN1; SMN2 476/4885NPC1 327/4885BRD4 267/4885

“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.