SCHEMBL22845402

SCHEMBL22845402

COc1ccc(Cn2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.43
TP53 P04637 6/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CLPP Q16740 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 1/20 0.37

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
SCHEMBL22845225 0.92 MAPT (0.46) P2RX3TP53KDM1AHDAC1HDAC6
SCHEMBL22717340 0.91 P2RX3 (0.41) P2RX3TP53KDM1AHDAC1HDAC6
SCHEMBL22717413 0.87 KDM1A (0.47) P2RX3TP53KDM1AHDAC1HDAC6
SCHEMBL22845439 0.84 LMNA (0.44) TP53CLPPMAPTKDM4E
SCHEMBL29670369 0.82 P2RX3 (0.38) P2RX3TP53KDM1AMAPT
SCHEMBL22718494 0.82 P2RX3 (0.47) P2RX3TP53KDM1AHDAC1HDAC6
SCHEMBL24484016 0.80 P2RX3 (0.36) P2RX3TP53KDM1AHDAC1HDAC6
SCHEMBL22845477 0.79 P2RX3 (0.46) P2RX3TP53HDAC1HDAC6
SCHEMBL24469837 0.78 P2RX3 (0.41) P2RX3TP53HDAC1HDAC6MAPT
SCHEMBL24469807 0.77 P2RX3 (0.43) P2RX3HDAC1HDAC6

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 P2RX3 3237/4885TP53 1710/4885KDM1A 4366/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL P2RX3 3237/4885TP53 1710/4885KDM1A 4366/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL P2RX3 3237/4885TP53 1710/4885KDM1A 4366/4885

“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.