SCHEMBL73442

SCHEMBL73442

COC(=O)c1ccc(OC)c2[nH]c3c(c12)CCNC3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL15016207 0.89 HTT (0.50) HTTPTK2BNCOA1NCOA3KDM4E
SCHEMBL6922067 0.75 USP2 (0.43) HTTKDM4EMAPTMAPK1GLA
SCHEMBL6922902 0.75 GAA (0.40) HTTKDM4EMAPTMAPK1GLA
SCHEMBL72968 0.74 PARP1 (0.37) NCOA1NCOA3KDM4EALDH1A1MAPT
SCHEMBL51079 0.72 GAA (0.61) KDM4EHPGDMAPTGLAGAA
SCHEMBL5583163 0.69 KDM4E (0.42) HTTKDM4EHPGDALDH1A1MAPT
SCHEMBL4308337 0.68 KDM4E (0.49) HTTKDM4EHPGDALDH1A1MAPT
SCHEMBL6922984 0.67 PARP1 (0.58) PARP1
SCHEMBL5016443 0.67 MEN1 (0.56) KDM4EHPGDALDH1A1MAPTPIM1
SCHEMBL6236426 0.67 HTT (1.00) HTTPTK2BNCOA1NCOA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A HTT 4643/4885PTK2B 1029/4885NCOA1 3620/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A HTT 4643/4885PTK2B 1165/4885NCOA1 3797/4885

“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.