Sugi Predict

Sugi Predict / Compounds / SCHEMBL2583030

SCHEMBL2583030

SCHEMBL2583030

O=C(Oc1ccccc1)N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ MGLL Q99685 1/20 0.58
▸ KMT2A Q03164 7/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ CYP3A4 P08684 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL953317 0.91 GAA (0.52) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL11882343 0.87 MGLL (0.72) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL14562470 0.84 ALDH1A1 (0.58) GAAKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1578826 0.83 ALDH1A1 (0.78) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL3077817 0.83 SMN1; SMN2 (0.72) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL13859061 0.83 GAA (0.48) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL13859060 0.83 GAA (0.48) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL13859058 0.83 GAA (0.48) GAAMGLLKMT2ASMN1; SMN2MEN1
SCHEMBL653157 0.83 CYP1A2 (0.67) GAAKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL28864238 0.83 ALDH1A1 (0.51) GAAKMT2ASMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050035-B Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2024-04-02 — — CN claimed
CN-112469719-B Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2024-01-23 — — CN claimed
CN-117050035-A Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2023-11-14 — — CN claimed
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
EP-4416146-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-C] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF Lomond Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 — — US disclosed
CN-117050035-B Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2024-04-02 — — CN disclosed
CN-117050035-B Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2024-04-02 — — CN disclosed
CN-117510491-A Compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides 阿尔维纳斯运营股份有限公司 2024-02-06 — — CN disclosed
CN-112469719-B Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2024-01-23 — — CN disclosed
CN-117050035-A Preparation method of hydrobromic acid voltammetric acid duloxetine 山东锐顺药业有限公司 2023-11-14 — — CN disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 — — WO disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 — — WO disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 — — WO disclosed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 — — CN disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 — — CN disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 — — CN disclosed
US-4610984-A CEREBRAL INSUFFICIENCY CASSELLA AKTIENGESELLSCHAFT (DE) 1986-09-09 — — 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 (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-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors IDH1, IDH2, IDH3A GAA 1204/4885MGLL 3885/4885KMT2A 506/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 GAA 4850/4885MGLL 2080/4885KMT2A 4745/4885

“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.