SCHEMBL406347

SCHEMBL406347

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.48
GRIN3B O60391 6/20 0.48
GRIN1 Q05586 6/20 0.48
GRIN2A Q12879 6/20 0.48
GRIN2B Q13224 6/20 0.48
GRIN2C Q14957 6/20 0.48
GRIN3A Q8TCU5 6/20 0.48
MAP2 P11137 2/20 0.43
DAO P14920 3/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FASN P49327 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
DDO Q99489 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
SCHEMBL406397 0.87 MPO (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12224441 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL406349 0.77 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL404810 0.74 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL440774 0.73 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL462766 0.72 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8210788 0.68 ALDH1A1 (0.56) DAOALDH1A1TDP1MEN1GAA
SCHEMBL27465107 0.67 MAP2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9715631 0.66 KDM4E (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30623756 0.66 KDM4E (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 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-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 (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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885

“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.