Sugi Predict

Sugi Predict / Compounds / SCHEMBL309725

SCHEMBL309725

SCHEMBL309725

CCc1cc([N+](=O)[O-])c(OC)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL29785305 1.00 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL27091373 0.89 ALDH1A1 (0.35) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL5208919 0.87 TTR (0.45) ALDH1A1CYP2D6TDP1MAPTKDM4E
SCHEMBL29149536 0.87 TDP1 (0.41) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL5208330 0.87 TDP1 (0.44) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL311208 0.85 MAPT (0.46) ALDH1A1MAPTCYP3A4GAALMNA
SCHEMBL13858996 0.84 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL13859258 0.84 ALDH1A1 (0.42) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL4134745 0.84 CHEK1 (0.48) ALDH1A1CYP2D6L3MBTL1TDP1MAPT
SCHEMBL517768 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE JING MEDICINE TECHNOLOGY (SHANGHAI) LTD. (CN) 2024-12-12 — — US disclosed
EP-4361163-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE JING MEDICINE TECHNOLOGY (SHANGHAI) LTD. (CN) 2024-05-01 — — EP disclosed
CN-114430740-B EGFR inhibitors, compositions and methods of making the same 贝达药业股份有限公司 2023-12-29 — — CN disclosed
CN-117203216-A Protein inhibitor or degradation agent, pharmaceutical composition containing same and medical application 和径医药科技（上海）有限公司 2023-12-08 — — CN disclosed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 — — US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 — — US disclosed
WO-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技（上海）有限公司 2022-12-29 — — WO disclosed
CN-114502564-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-13 — — CN disclosed
CN-114430740-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-03 — — CN disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 — — EP disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — 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 (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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 ALDH1A1 4788/4885CYP2D6 2229/4885L3MBTL1 3878/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885CYP2D6 1612/4885L3MBTL1 4632/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885CYP2D6 1612/4885L3MBTL1 4632/4885
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE PSME1, IDE, PRUNE1 ALDH1A1 4213/4885CYP2D6 1790/4885L3MBTL1 4654/4885
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 4283/4885CYP2D6 2121/4885L3MBTL1 4798/4885

“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.