SCHEMBL25307017

SCHEMBL25307017

Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
MAPT P10636 7/20 0.78
HPGD P15428 6/20 0.78
GAA P10253 5/20 0.78
KDM4E B2RXH2 5/20 0.78
GLA P06280 4/20 0.78
NPC1 O15118 4/20 0.78
RAB9A P51151 4/20 0.78
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
LMNA P02545 3/20 0.78
RORC P51449 7/20 0.74
L3MBTL1 Q9Y468 1/20 0.69
NFKB1 P19838 1/20 0.68
HTT P42858 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
HSP90AA1 P07900 1/20 0.67
PTPN1 P18031 2/20 0.57

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
SCHEMBL25308120 0.90 MAPT (0.82) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL24185446 0.85 RORC (1.00) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL25263423 0.85 RORC (0.81) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL3735493 0.84 RORC (1.00) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL5390777 0.82 ALDH1A1 (0.81) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL25306302 0.82 ALDH1A1 (0.68) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL24185748 0.81 RORC (1.00) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL12692491 0.80 RORC (0.78) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL13970848 0.80 ALDH1A1 (0.71) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL25307540 0.80 RORC (1.00) ALDH1A1MAPTHPGDGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US claimed
CN-113912563-A Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-01-11 CN claimed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US disclosed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US disclosed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 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 (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-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF RORC, RORB, RORA ALDH1A1 2704/4885MAPT 620/4885HPGD 527/4885

“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.