SCHEMBL22906211

SCHEMBL22906211

COCc1c(C(=O)Nc2ccc(F)c(C#N)c2)cc(C(=O)C(=O)NC(C)C(F)(F)F)n1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 11/20 0.38
GRM4 Q14833 1/20 0.38
RAB9A P51151 2/20 0.35
FSCN1 Q16658 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.34
GPR6 P46095 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL21427882 1.00 SLC10A1 (0.38) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL25645240 0.91 GRM4 (0.40) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL21427803 0.88 GRM4 (0.41) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL30294232 0.88 GRM4 (0.41) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL28902794 0.88 GRM4 (0.41) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL23010360 0.84 GRM4 (0.43) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL23010471 0.82 GRM4 (0.43) GRM4RAB9AFSCN1NPC1POLB
SCHEMBL23010386 0.82 GRM4 (0.41) GRM4RAB9AFSCN1NPC1POLB
SCHEMBL17838291 0.82 SLC10A1 (0.42) SLC10A1GRM4RAB9AFSCN1NPC1
SCHEMBL20467193 0.82 SLC10A1 (0.42) SLC10A1GRM4RAB9AFSCN1NPC1

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-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-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

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 4715/4885RAB9A 1369/4885
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 4715/4885RAB9A 1369/4885

“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.