SCHEMBL22646308

SCHEMBL22646308

CNC(=O)c1c(Cl)c(N)c2n1CCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
SLC10A1 Q14973 9/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK2 P24941 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21868951 0.84 ALDH1A1 (0.40) ALDH1A1PTGS2PTGS1MAPK1MEN1
SCHEMBL21869103 0.81 ALDH1A1 (0.37) ALDH1A1MAPK1
SCHEMBL21869337 0.77 SLC10A1 (0.33) ALDH1A1PTGS2PTGS1SLC10A1MAPK1
SCHEMBL21869151 0.76 SLC10A1 (0.52) SLC10A1
SCHEMBL21868966 0.75 SMARCA2 (0.42) PTGS2PTGS1SLC10A1
SCHEMBL21869105 0.74 SLC10A1 (0.35) ALDH1A1PTGS2PTGS1SLC10A1KMT2A
SCHEMBL21869178 0.74 SCN10A (0.42) SLC10A1
SCHEMBL22646287 0.73 ALDH1A1 (0.36) ALDH1A1PTGS2PTGS1SLC10A1MAPK1
SCHEMBL21868845 0.68 MEN1 (0.36) ALDH1A1PTGS2PTGS1SLC10A1MEN1
SCHEMBL24890429 0.65 MAPK1 (0.38) ALDH1A1SLC10A1MAPK1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591334-B2 Substituted pyrrolizines for the treatment of hepatitis B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-02-28 US disclosed
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2020-11-12 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 (2 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-11591334-B2 Substituted pyrrolizines for the treatment of hepatitis B SLC10A1, NUP188, NR1H4 ALDH1A1 2589/4885PTGS2 2334/4885PTGS1 970/4885
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SLC10A1, NR1H4, NUP188 ALDH1A1 3164/4885PTGS2 3420/4885PTGS1 2835/4885

“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.