SCHEMBL462466

SCHEMBL462466

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 2/20 0.66
POLB P06746 2/20 0.66
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
PARP14 Q460N5 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GSK3B P49841 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL23510959 0.78 GRIN2D (0.58) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL11763798 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTPOLBGRIN2D
SCHEMBL6313673 0.75 GSK3B (0.56) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL13922339 0.75 PARP14 (0.47) KDM4EALDH1A1MAPTPOLBPARP14
SCHEMBL16814457 0.74 MAP2 (0.54) KDM4EALDH1A1MAPTPOLBPARP14
SCHEMBL8477169 0.74 CYP2C9 (0.63) KDM4EALDH1A1MAPTPOLBGSK3B
SCHEMBL11375916 0.74 KDM4E (0.61) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL404810 0.73 GRIN2D (0.63) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL6513986 0.73 GRIN2D (0.52) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL6513990 0.73 GRIN2D (0.52) KDM4EALDH1A1MAPTGRIN2DGRIN3B

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 KDM4E 1897/4885ALDH1A1 1909/4885MAPT 2336/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885ALDH1A1 1909/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885ALDH1A1 1909/4885MAPT 2336/4885

“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.