SCHEMBL22906128

SCHEMBL22906128

COC(=O)c1cn(C)c(C(=O)C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.44
BRD4 O60885 1/20 0.43
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
MYC P01106 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21408349 0.81 BAZ2B (0.40) NR4A2BRD4KMT2ALMNAALDH1A1
SCHEMBL22906126 0.80 NR4A2 (0.39) NR4A2BRD4KMT2AMEN1TDP1
SCHEMBL21428266 0.79 NR4A2 (0.43) NR4A2BRD4KMT2AMEN1TDP1
SCHEMBL16416413 0.75 NR4A2 (0.40) NR4A2BRD4KDM4ELMNAALDH1A1
SCHEMBL16416882 0.74 BAZ2B (0.46) KMT2AKDM4ELMNAALDH1A1TSHR
SCHEMBL12677156 0.74 BRD4 (0.58) NR4A2BRD4KMT2AMEN1TDP1
SCHEMBL2031843 0.74 NR4A2 (0.47) NR4A2BRD4KMT2AMEN1TDP1
SCHEMBL6022285 0.71 KMT2A (0.39) NR4A2BRD4KMT2AMEN1MYC
SCHEMBL21413174 0.71 BAZ2B (0.49) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL4050384 0.70 ALDH1A1 (0.39) NR4A2BRD4KMT2AMEN1MYC

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
CN-111868026-B 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 2022-11-25 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

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 NR4A2 1881/4885BRD4 1888/4885KMT2A 4197/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 NR4A2 1881/4885BRD4 1888/4885KMT2A 4197/4885

“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.