SCHEMBL21408396

SCHEMBL21408396

Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)c(F)c(C(=O)C(=O)NC(C)C(F)(F)F)n1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 15/20 0.46
GRM4 Q14833 1/20 0.40
LRRK2 Q5S007 1/20 0.37
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21408395 1.00 SLC10A1 (0.46) SLC10A1GRM4LRRK2ARKDM4E
SCHEMBL30361236 0.93 SLC10A1 (0.49) SLC10A1GRM4LRRK2ALDH1A1
SCHEMBL21408544 0.93 SLC10A1 (0.49) SLC10A1GRM4LRRK2ALDH1A1
SCHEMBL21427896 0.93 SLC10A1 (0.49) SLC10A1GRM4LRRK2ALDH1A1
SCHEMBL21408543 0.93 SLC10A1 (0.49) SLC10A1GRM4LRRK2ALDH1A1
SCHEMBL31659293 0.93 SLC10A1 (0.49) SLC10A1GRM4LRRK2ALDH1A1
SCHEMBL17838279 0.88 SLC10A1 (0.52) SLC10A1GRM4
SCHEMBL30361258 0.88 SLC10A1 (0.49) SLC10A1GRM4LRRK2
SCHEMBL21428046 0.88 SLC10A1 (0.49) SLC10A1GRM4LRRK2
SCHEMBL28492819 0.88 SLC10A1 (0.49) SLC10A1GRM4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
CN-115974753-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
CN-115974754-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 US disclosed
CN-111868026-A Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof 正大天晴药业集团股份有限公司 2020-10-30 CN disclosed
WO-2019185016-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 正大天晴药业集团股份有限公司 2019-10-03 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 (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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 SLC10A1 35/4885GRM4 4715/4885LRRK2 1174/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 SLC10A1 35/4885GRM4 4715/4885LRRK2 1174/4885

“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.