SCHEMBL22646289

SCHEMBL22646289

CNC(=O)c1c(Cl)cc2n1CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 6/20 0.36
HPGD P15428 2/20 0.36
HSP90AA1 P07900 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC10A1 Q14973 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33

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
SCHEMBL22646427 0.98 SLC10A1 (0.34) POLBALDH1A1PKMNPC1TP53
SCHEMBL21868845 0.94 MEN1 (0.36) POLBALDH1A1PKMNPC1TP53
SCHEMBL21869116 0.79 NPSR1 (0.50) ALDH1A1PKMNPC1HPGDSLC10A1
SCHEMBL21868896 0.77 NPSR1 (0.48) ALDH1A1PKMNPC1HPGDSLC10A1
SCHEMBL21869099 0.76 ALDH1A1 (0.48) POLBALDH1A1NPC1HPGDRAB9A
SCHEMBL19900896 0.76 ALDH1A1 (0.46) ALDH1A1HPGDMAPT
SCHEMBL19900927 0.74 TSHR (0.38) POLBALDH1A1HPGDHSP90AA1HSD17B10
SCHEMBL21868893 0.74 ALDH1A1 (0.47) POLBALDH1A1PKMNPC1HPGD
SCHEMBL21868952 0.73 HSP90AA1 (0.36) POLBALDH1A1HPGDHSP90AA1HSD17B10
SCHEMBL21868869 0.72 NPSR1 (0.46) NPC1SLC10A1MAPTRAB9A

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 POLB 38/4885ALDH1A1 2589/4885PKM 827/4885
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SLC10A1, NR1H4, NUP188 POLB 215/4885ALDH1A1 3164/4885PKM 3264/4885

“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.