SCHEMBL12017487

SCHEMBL12017487

CNCc1ccccc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
HTR2A P28223 3/20 0.33
IFNAR1 P17181 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.32
SOS1 Q07889 3/20 0.32
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CD274 Q9NZQ7 2/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6956747 0.81 TRPA1 (0.41)
SCHEMBL6919819 0.80 DPP4 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL6962835 0.79 ADRA2B (0.33)
SCHEMBL6961073 0.79 HTR2A (0.37) HTR2ACYP3A4MEN1KMT2A
SCHEMBL7914588 0.78
SCHEMBL5950530 0.78
SCHEMBL13932720 0.78 KCNN4 (0.38)
SCHEMBL8090072 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL6742593 0.78 PARP1 (0.40) CD274
SCHEMBL6742588 0.78

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-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO 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 (1 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 LTA4H 1532/4885SLC6A4 94/4885SLC6A2 40/4885

“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.