SCHEMBL5010260

SCHEMBL5010260

O=C(O)c1cnc(-c2nccs2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
PDPK1 O15530 1/20 0.40
ECE1 P42892 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GPR35 Q9HC97 2/20 0.37
CYP2A6 P11509 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
NFKB1 P19838 1/20 0.35
PPARG P37231 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35

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
SCHEMBL18667542 0.85 CDC7 (0.41) HCAR2ECE1ALDH1A1NPC1RAB9A
SCHEMBL5008045 0.76 HCAR2 (0.52) HCAR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6415664 0.75 KDM4E (0.56) PDPK1ECE1ALDH1A1NPC1RAB9A
SCHEMBL929807 0.72 PDPK1 (0.43) PDPK1ALDH1A1RAB9ACYP2A6
SCHEMBL2339701 0.72 PDPK1 (0.43) PDPK1ALDH1A1RAB9ACYP2A6
SCHEMBL3222550 0.72 PDPK1 (0.44) HCAR2PDPK1ECE1ALDH1A1NPC1
SCHEMBL3593476 0.71 CDC7 (0.63) HCAR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL102331 0.71 PDPK1 (0.59) PDPK1ALDH1A1RAB9ACYP2A6
SCHEMBL1222603 0.70 ALDH1A1 (0.72) HCAR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12571417 0.70 ALDH1A1 (0.46) HCAR2ALDH1A1NPC1RAB9ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132470-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-04-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 US disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 US disclosed
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 US disclosed
EP-3349580-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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 (8 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-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-20240132470-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 HCAR2 4264/4885PDPK1 3758/4885ECE1 1365/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR2 2735/4885PDPK1 2026/4885ECE1 4395/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR HCAR2 1403/4885PDPK1 977/4885ECE1 2683/4885

“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.