SCHEMBL21868896

SCHEMBL21868896

O=C(Nc1ccc(F)c(F)c1)c1c(Cl)cc2n1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC10A1 Q14973 9/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ENPP2 Q13822 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21869116 0.99 NPSR1 (0.50) NPSR1MAPK1MAPTNPC1RAB9A
SCHEMBL21868869 0.96 NPSR1 (0.46) NPSR1MAPK1MAPTNPC1RAB9A
SCHEMBL19900989 0.83 SLC10A1 (0.50) NPSR1MAPTSLC10A1
SCHEMBL19900868 0.79 SLC10A1 (0.54) NPSR1MAPTLMNASLC10A1
SCHEMBL21868924 0.78 ENPP2 (0.44) NPSR1MAPK1MAPTNPC1RAB9A
SCHEMBL22646427 0.78 SLC10A1 (0.34) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL22646289 0.77 POLB (0.36) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL21868898 0.76 SLC10A1 (0.47) MAPK1SLC10A1
SCHEMBL21869085 0.75 ENPP2 (0.45) NPSR1MAPK1MAPTNPC1RAB9A
SCHEMBL21868856 0.75 RAB9A (0.44) NPSR1MAPK1MAPTNPC1RAB9A

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-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
EP-3628674-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2020-04-01 EP 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 NPSR1 2156/4885MAPK1 1633/4885MAPT 31/4885
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SLC10A1, NR1H4, NUP188 NPSR1 3668/4885MAPK1 2842/4885MAPT 20/4885

“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.