Sugi Predict

Sugi Predict / Compounds / SCHEMBL3576511

SCHEMBL3576511

SCHEMBL3576511

COC(=O)c1nn(C2CCCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NR4A1 P22736 1/20 0.34

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
SCHEMBL30133893 0.90 MAPT (0.40) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL22236225 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL30079004 0.88 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL2804353 0.87 HCAR3 (0.38) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL28492553 0.86 MCL1 (0.37) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL3586962 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL13375094 0.84 ALDH1A1 (0.36) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL3583343 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL12800512 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AMAPTMEN1
SCHEMBL25187420 0.82 ABL1 (0.38) ALDH1A1RAB9AMAPTABL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 — — EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 — — US disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 — — CN disclosed
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 — — CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 — — US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 — — US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 — — WO disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 — — CN disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 — — EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 — — CN disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 — — EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 — — WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 — — WO disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ALDH1A1 1389/4885KMT2A 1678/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885KMT2A 1844/4885RAB9A 955/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK ALDH1A1 1296/4885KMT2A 2627/4885RAB9A 981/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK ALDH1A1 4075/4885KMT2A 2375/4885RAB9A 1548/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK ALDH1A1 1296/4885KMT2A 2627/4885RAB9A 981/4885

“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.