SCHEMBL25645199

SCHEMBL25645199

Cc1[nH]c(C(=O)C(=O)NC(C)C)c(C)c1C(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
LRRK2 Q5S007 1/20 0.46
GRM4 Q14833 1/20 0.43
SLC10A1 Q14973 8/20 0.42
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL29625072 0.91 SLC10A1 (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL21427900 0.91 SLC10A1 (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL28486712 0.91 SLC10A1 (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL24061312 0.91 SLC10A1 (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL28898142 0.87 TSHR (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL23169134 0.84 TSHR (0.46) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL23010350 0.83 TSHR (0.50) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL23010426 0.82 TSHR (0.44) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL25645185 0.80 SLC10A1 (0.47) TSHRLMNALRRK2GRM4SLC10A1
SCHEMBL25645200 0.79 SLC10A1 (0.46) LRRK2GRM4SLC10A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TSHR 4693/4885LMNA 1454/4885LRRK2 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.