SCHEMBL4250096

SCHEMBL4250096

O=C(O)c1ccc(=O)n(CCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM5A P29375 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
LMNA P02545 1/20 0.47
MPI P34949 1/20 0.47
GAA P10253 1/20 0.46
CD274 Q9NZQ7 2/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTR1A P08908 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4249687 0.88 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4923119 0.86 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KMT2AHPGDKDM4E
SCHEMBL23091735 0.83 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KMT2ALMNAGAA
SCHEMBL14034513 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL4249071 0.81 GAA (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL13701756 0.80 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KMT2ACD274HPGD
SCHEMBL14007204 0.80 HRH3 (0.58) ALDH1A1SMN1; SMN2GAACD274HPGD
SCHEMBL4251833 0.77 BRD4 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL13702304 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAACD274HPGD
SCHEMBL25078428 0.77 BRD4 (0.45) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed
CN-105745193-B Antimycotic oxo-dihydro pyridine carbohydrazide derivative 株式会社大熊制药 2017-12-01 CN disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
CN-105745193-A Novel antifungal oxodihydropyridinecarbohydrazide derivative 株式会社大熊制药 2016-07-06 CN disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 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 (3 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-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE PITHD1, HPD, QDPR ALDH1A1 773/4885SMN1; SMN2 4819/4885MAPT 3815/4885
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH ALDH1A1 292/4885SMN1; SMN2 3162/4885MAPT 4662/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX ALDH1A1 376/4885SMN1; SMN2 4398/4885MAPT 4084/4885

“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.