Sugi Predict

Sugi Predict / Compounds / SCHEMBL2569899

SCHEMBL2569899

SCHEMBL2569899

CN(C)/C=C/c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ ERN1 O75460 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14764234 1.00 MAPT (0.38) MAPTALDH1A1ERN1POLBGAA
SCHEMBL30018808 1.00 MAPT (0.38) MAPTALDH1A1ERN1POLBGAA
SCHEMBL16302853 0.84 SMN1; SMN2 (0.46) MAPTALDH1A1POLBGAARAB9A
SCHEMBL203719 0.78 ERN1 (0.47) MAPTALDH1A1ERN1POLBRAB9A
SCHEMBL18235078 0.77 ERN1 (0.36) MAPTALDH1A1ERN1POLBGAA
SCHEMBL17533404 0.77 MAPT (0.34) MAPTALDH1A1ERN1POLBGAA
SCHEMBL29709737 0.77 MAPT (0.35) MAPTALDH1A1ERN1POLBGAA
SCHEMBL10179458 0.77 MAPT (0.35) MAPTALDH1A1ERN1POLBGAA
SCHEMBL10179459 0.77 MAPT (0.35) MAPTALDH1A1ERN1POLBGAA
SCHEMBL27859421 0.76 ERN1 (0.39) MAPTALDH1A1ERN1POLBGAA

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431361-A Preparation method of PARP1 inhibitor 上海喀露蓝科技有限公司 2025-02-14 — — CN disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
US-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS ENLIVEN INC (US) 2024-07-11 — — US disclosed
US-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS ENLIVEN INC (US) 2024-07-11 — — US disclosed
US-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS ENLIVEN INC (US) 2024-07-11 — — US disclosed
EP-4326720-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-02-28 — — EP disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 — — US disclosed
US-20220348574-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-11-03 — — US disclosed
WO-2013033899-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013033899-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — US disclosed
EP-2381777-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-11-02 — — EP disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 — — WO disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 — — WO 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 (5 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-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS PARP2, PARP1, PARP12 MAPT 3531/4885ALDH1A1 1846/4885ERN1 1947/4885
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 MAPT 3390/4885ALDH1A1 1913/4885ERN1 907/4885
US-20220348574-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 MAPT 3390/4885ALDH1A1 1913/4885ERN1 907/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 MAPT 3206/4885ALDH1A1 2111/4885ERN1 1244/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 MAPT 3390/4885ALDH1A1 1913/4885ERN1 907/4885

“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.