SCHEMBL29513074

SCHEMBL29513074

NC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.75
▸ KMT2A Q03164 2/20 0.72
▸ PKM P14618 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.69
▸ HCAR3 P49019 5/20 0.67
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ CRHBP P24387 2/20 0.62
▸ CRHR2 Q13324 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ KAT2B Q92831 1/20 0.55

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
SCHEMBL29513080 0.97 PRSS1 (0.77) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL19451789 0.95 PRSS1 (0.68) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL29513025 0.94 KMT2A (0.76) PRSS1KMT2APKMKDM4EHCAR3
Hydrochloric Acid SCHEMBL19436442 0.93 PRSS1 (0.69) PRSS1KMT2APKMKDM4EHCAR3
Hydrochloric Acid SCHEMBL28720410 0.93 PRSS1 (0.69) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL19436438 0.92 PKM (0.67) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL19436439 0.92 PKM (0.67) PRSS1KMT2APKMKDM4EHCAR3
Hydrochloric Acid SCHEMBL28722113 0.92 PRSS1 (0.68) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL19436444 0.91 PRSS1 (0.64) PRSS1KMT2APKMKDM4EHCAR3
SCHEMBL28602327 0.90 PRSS1 (0.62) PRSS1KMT2APKMKDM4EHCAR3

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-12384801-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting CTXT PTY LTD. (AU) 2025-08-12 — — US disclosed
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 — — EP disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 — — US disclosed
WO-2022177307-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국화학연구원 2022-08-25 — — WO disclosed
EP-3999185-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT Pty Limited (AU) 2022-05-25 — — EP disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 — — CN 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-12384801-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting STING1, CGAS, MAVS PRSS1 2855/4885KMT2A 3255/4885PKM 3753/4885
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS PRSS1 2855/4885KMT2A 3255/4885PKM 3753/4885

“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.

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