SCHEMBL22845225

SCHEMBL22845225

COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccc(OC(F)(F)F)cc5)c24)CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
P2RX3 P56373 2/20 0.42
KDM1A O60341 1/20 0.40
ENPP2 Q13822 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 5/20 0.37
PDE1B Q01064 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL22845402 0.92 P2RX3 (0.43) MAPTP2RX3KDM1AKDM4ETP53
SCHEMBL22717340 0.89 P2RX3 (0.41) MAPTPOLBP2RX3KDM1AKDM4E
SCHEMBL22717413 0.85 KDM1A (0.47) MAPTPOLBP2RX3KDM1AKDM4E
SCHEMBL22845221 0.81 GCGR (0.40) MAPTPOLBP2RX3KDM4EHDAC1
SCHEMBL22845220 0.81 ABHD6 (0.39) MAPTPOLBP2RX3ENPP2KDM4E
SCHEMBL22718494 0.80 P2RX3 (0.47) MAPTP2RX3KDM1AKDM4ETP53
SCHEMBL22845439 0.76 LMNA (0.44) MAPTPOLBKDM4ETP53
SCHEMBL29670369 0.75 P2RX3 (0.38) MAPTP2RX3KDM1ATP53PDE10A
SCHEMBL24484016 0.73 P2RX3 (0.36) MAPTPOLBP2RX3KDM1ATP53
SCHEMBL22410754 0.73 P2RX3 (0.51) MAPTP2RX3KDM1AKDM4EHDAC1

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-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MAPT 651/4885POLB 3198/4885P2RX3 3237/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL MAPT 651/4885POLB 3198/4885P2RX3 3237/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MAPT 651/4885POLB 3198/4885P2RX3 3237/4885

“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.