SCHEMBL22508314

SCHEMBL22508314

OC1c2cccc(F)c2SCc2cccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DRD2 P14416 2/20 0.31
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL15143387 0.85 NOTUM (0.33) NOTUM
SCHEMBL22508465 0.83 ALDH1A1 (0.46) CHRNB2CHRNA4ALDH1A1GAADRD2
SCHEMBL29604062 0.81 SLC6A2 (0.33) NOTUM
SCHEMBL20907812 0.78 ALDH1A1 (0.33) NOTUMCHRNB2CHRNA4ALDH1A1
SCHEMBL20101877 0.78 NOTUM (0.33) NOTUMCHRNB2CHRNA4DRD2
SCHEMBL22508367 0.78 NOTUM (0.33) NOTUMCHRNB2CHRNA4DRD2
SCHEMBL22415119 0.78 NOTUM (0.33) NOTUMCHRNB2CHRNA4DRD2
SCHEMBL16385897 0.73 ALDH1A1 (0.36) NOTUMALDH1A1GAA
SCHEMBL10444631 0.70 HTR2A (0.38) NOTUMALDH1A1GAADRD2
SCHEMBL22415121 0.68 NOTUM (0.30) NOTUM

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-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. 2022-06-09 US disclosed
WO-2020205832-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2020205835-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 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-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS PDXK, PNPO, CDKN1A NOTUM 2882/4885CHRNB2 4550/4885CHRNA4 4026/4885

“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.