SCHEMBL406397

SCHEMBL406397

Nc1c(O)c2cc(F)c(F)cc2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
XDH P47989 1/20 0.42
DAO P14920 3/20 0.40
DDO Q99489 1/20 0.40
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
SRC P12931 2/20 0.39
MAPT P10636 1/20 0.39
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
SERPINE1 P05121 1/20 0.37
PARP1 P09874 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36

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
SCHEMBL406347 0.87 GRIN2D (0.48) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL405231 0.73 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9387925 0.73 DAO (0.53) MPOXDHDAODDOSRC
SCHEMBL8210788 0.72 ALDH1A1 (0.56) DAODDOMAPT
SCHEMBL404810 0.72 GRIN2D (0.63) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4460818 0.72 MAPT (0.65) MAPTFASN
SCHEMBL2056335 0.72 DAO (0.50) DAODDOMAPTPARP1
Hydrochloric Acid SCHEMBL440774 0.71 GRIN2D (0.61) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30623756 0.70 KDM4E (0.69) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9715631 0.70 KDM4E (0.69) DAODDOGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MPO 1079/4885XDH 1157/4885DAO 1065/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MPO 1079/4885XDH 1157/4885DAO 1065/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MPO 1079/4885XDH 1157/4885DAO 1065/4885

“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.