SCHEMBL404810

SCHEMBL404810

Nc1c(O)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.63
GRIN3B O60391 4/20 0.63
GRIN1 Q05586 4/20 0.63
GRIN2A Q12879 4/20 0.63
GRIN2B Q13224 4/20 0.63
GRIN2C Q14957 4/20 0.63
GRIN3A Q8TCU5 4/20 0.63
KDM4E B2RXH2 1/20 0.60
ROCK2 O75116 1/20 0.60
MAP4K4 O95819 1/20 0.60
LCK P06239 1/20 0.60
CSF1R P07333 1/20 0.60
PIM1 P11309 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CDK2 P24941 1/20 0.60
MAPK1 P28482 1/20 0.60
EPHA2 P29317 1/20 0.60
FLT3 P36888 1/20 0.60
FRK P42685 1/20 0.60
CLK2 P49760 1/20 0.60

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
Hydrochloric Acid SCHEMBL440774 0.98 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31179117 0.81 ROCK2 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8210788 0.80 ALDH1A1 (0.56) KDM4EPIM1CDK2MAPK1MEN1
SCHEMBL7485392 0.79 PIM1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11375916 0.78 KDM4E (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23510959 0.76 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14916477 0.76 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2054577 0.76 KIF11 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7114815 0.76 ALDH1A1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7122454 0.76 GRIN2D (0.58) 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 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 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
US-20110257137-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.