SCHEMBL22906129

SCHEMBL22906129

Cc1c(C(=O)Nc2ccc(F)c(F)c2)c(C)n(C)c1C(=O)C(=O)N[C@@H](C)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 16/20 0.54
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30361266 1.00 SLC10A1 (0.54) SLC10A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL28487054 1.00 SLC10A1 (0.54) SLC10A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL30095247 0.93 SLC10A1 (0.53) SLC10A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL21408391 0.93 SLC10A1 (0.53) SLC10A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL21408392 0.93 SLC10A1 (0.53) SLC10A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL21810354 0.93 SLC10A1 (0.53) SLC10A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL30361240 0.91 SLC10A1 (0.51) SLC10A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL21427878 0.91 SLC10A1 (0.65) SLC10A1SMN1; SMN2
SCHEMBL21427960 0.91 SLC10A1 (0.51) SLC10A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL28484402 0.91 SLC10A1 (0.65) SLC10A1SMN1; SMN2

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 6 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

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 35/4885TSHR 4693/4885MAPT 4/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 SLC10A1 35/4885TSHR 4693/4885MAPT 4/4885

“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.