SCHEMBL584461

SCHEMBL584461

N#Cc1ccc(Cl)cc1C(Br)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.41
TRPV4 Q9HBA0 1/20 0.38
MCL1 Q07820 1/20 0.38
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOS2 P35228 6/20 0.36
CYP2D6 P10635 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
PSMB8 P28062 1/20 0.36
AR P10275 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 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
SCHEMBL11366897 0.84 CYP2A6 (0.41) VCAM1MAOAMAOBCYP2A6TRPV4
SCHEMBL2759107 0.80 VCAM1 (0.44) VCAM1MAOAMAOBCYP2A6TRPV4
SCHEMBL396064 0.79 MAOB (0.44) MAOAMAOBCYP2A6TRPV4MCL1
SCHEMBL4632656 0.78 IMPDH2 (0.41) MAOAMAOBCYP2A6TRPV4NOS2
SCHEMBL16962123 0.77 VCAM1 (0.42) VCAM1MAOAMAOBCYP2A6TRPV4
SCHEMBL16960404 0.77 VCAM1 (0.42) VCAM1MAOAMAOBCYP2A6TRPV4
SCHEMBL14259302 0.76 AR (0.39) MAOAMAOBCYP2A6MCL1KDM4E
SCHEMBL28452472 0.76 TRPV4 (0.42) MAOAMAOBTRPV4ARCYP11B1
SCHEMBL23529325 0.76 KDM4E (0.42) VCAM1MAOAMAOBCYP2A6KDM4E
SCHEMBL24981566 0.74 NOS2 (0.45) VCAM1MAOAMAOBCYP2A6KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132112-A1 COMPOUNDS CTXT PTY LTD (AU) 2026-05-14 US disclosed
EP-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP disclosed
US-12415785-B2 Compound modulators of sting CTXT PTY LTD (AU) 2025-09-16 US disclosed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
US-20230062932-A1 COMPOUNDS CTXT PTY LTD. (AU) 2023-03-02 US disclosed
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP disclosed
CN-114981265-A Compound (I) CTXT私人有限公司 2022-08-30 CN disclosed
WO-2021119753-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2021-06-24 WO disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 WO disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 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 (4 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-12415785-B2 Compound modulators of sting STING1, IRF3, MAVS VCAM1 2507/4885MAOA 3709/4885MAOB 3613/4885
US-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT VCAM1 4761/4885MAOA 812/4885MAOB 709/4885
US-20260132112-A1 COMPOUNDS STING1, IRF3, CGAS VCAM1 2109/4885MAOA 643/4885MAOB 399/4885
US-20230062932-A1 COMPOUNDS STING1, IRF3, MAVS VCAM1 1333/4885MAOA 2879/4885MAOB 2543/4885

“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.