SCHEMBL2749472

SCHEMBL2749472

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.65
▸ PKM P14618 1/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ PIK3CA P42336 1/20 0.56
▸ MTOR P42345 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ TSHR P16473 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1961249 0.93 KDM4E (0.64) KMT2APKMMEN1PIK3CAMTOR
SCHEMBL7027741 0.89 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL9620317 0.86 PKM (0.56) KMT2APKMMEN1PIK3CAMTOR
SCHEMBL7497881 0.85 PKM (0.71) KMT2APKMMEN1KDM4EALDH1A1
SCHEMBL12698021 0.84 KMT2A (0.60) KMT2APKMMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9620334 0.84 PKM (0.54) KMT2APKMMEN1PIK3CAMTOR
SCHEMBL14673278 0.83 KMT2A (0.59) KMT2APKMMEN1KDM4EALDH1A1
SCHEMBL9620467 0.83 PKM (0.53) KMT2APKMMEN1KDM4EALDH1A1
SCHEMBL9620477 0.82 KMT2A (0.53) KMT2APKMMEN1PIK3CAMTOR
SCHEMBL4389696 0.80 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 — — US disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 — — CN disclosed
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 — — US disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 — — WO disclosed
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 — — WO disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 — — US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 — — US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 — — US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 — — US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 — — US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 — — 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 (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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885PKM 2857/4885MEN1 976/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 KMT2A 690/4885PKM 2857/4885MEN1 976/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885PKM 2857/4885MEN1 976/4885
US-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 KMT2A 4344/4885PKM 838/4885MEN1 1226/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885PKM 2857/4885MEN1 976/4885

“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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