SCHEMBL13255463

SCHEMBL13255463

COc1c(C(=O)O)cc(Cl)c(N)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TPMT P51580 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37

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
SCHEMBL25395311 0.89 PKM (0.43) PKMALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1115896 0.87 GAA (0.48) PKMALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7315145 0.80 HSD17B10 (0.46) ALDH1A1TPMTHSD17B10TDP1KDM4E
SCHEMBL6775493 0.80 HSD17B10 (0.46) ALDH1A1TPMTHSD17B10TDP1CYP3A4
SCHEMBL3583694 0.79 PKM (0.49) PKMALDH1A1CYP1A2TPMTGRIN2D
SCHEMBL9340393 0.79 HSD17B10 (0.45) ALDH1A1TPMTHSD17B10TDP1CYP3A4
SCHEMBL27468828 0.78 PKM (0.54) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6772316 0.77 HSD17B10 (0.44) ALDH1A1TPMTHSD17B10TDP1KDM4E
SCHEMBL7321975 0.77 TPMT (0.46) PKMALDH1A1TPMTHSD17B10TDP1
SCHEMBL12566454 0.77 PKM (0.47) PKMALDH1A1TPMTCDK2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617780-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting CTXT PTY LTD (AU) 2026-05-05 — — US disclosed
EP-4638460-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2025-10-29 — — EP disclosed
CN-114206880-B Benzothiophene, thienopyridine and thienopyrimidine derivatives for modulating STING CTXT私人有限公司 2024-12-06 — — CN disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 — — WO disclosed
EP-3999184-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-09-20 — — EP disclosed
US-20220380354-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2022-12-01 — — US disclosed
EP-3999184-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT Pty Limited (AU) 2022-05-25 — — EP disclosed
CN-114206880-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 — — CN disclosed
WO-2021009362-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 — — WO disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 — — US disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 — — US disclosed
EP-2033952-A1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity Shionogi&Co., Ltd. (JP) 2009-03-11 — — EP disclosed
EP-1375486-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-10-15 — — EP 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-20220380354-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, HRH2 PKM 4470/4885ALDH1A1 1890/4885CYP1A2 560/4885
US-12617780-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting STING1, CGAS, IRF3 PKM 4237/4885ALDH1A1 3931/4885CYP1A2 3494/4885

“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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