SCHEMBL463620

SCHEMBL463620

O=c1[nH]c2cc(Cl)cc(F)c2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.66
GRIN2D O15399 12/20 0.66
GRIN3B O60391 12/20 0.66
GRIN2A Q12879 12/20 0.66
GRIN2B Q13224 12/20 0.66
GRIN2C Q14957 12/20 0.66
GRIN3A Q8TCU5 12/20 0.66
HSD17B10 Q99714 3/20 0.66
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 2/20 0.66
GAA P10253 1/20 0.66
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 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
SCHEMBL2639494 0.79 GRIN2D (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973771 0.78 GRIN1 (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL462721 0.76 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL31236126 0.76 GRIN2D (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4704849 0.76 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL24876192 0.76 GRIN2D (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4707291 0.76 GRIN1 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7346405 0.74 GRIN2D (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639553 0.74 GRIN2D (0.73) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL10285831 0.73 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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 4 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
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 GRIN1 810/4885GRIN2D 1354/4885GRIN3B 1028/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN1 810/4885GRIN2D 1354/4885GRIN3B 1028/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN1 810/4885GRIN2D 1354/4885GRIN3B 1028/4885

“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.