SCHEMBL4326348

SCHEMBL4326348

NC(=O)[CH]c1cccc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.35
PLAU P00749 4/20 0.34
NCF1 P14598 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL3465384 0.78 USP9X (0.40) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL11972240 0.78 PARP1 (0.47) GRM4NOS3NOS2KDM4ETSHR
SCHEMBL521017 0.76
SCHEMBL28884227 0.75 GRM4 (0.58) GRM4NOS3NOS2KDM4EALOX15
SCHEMBL22165730 0.75 GRM4 (0.58) GRM4NOS3NOS2KDM4EALOX15
SCHEMBL3100883 0.74 PIM1 (0.48) GRM4NOS3NOS2XIAPBIRC2
SCHEMBL3465533 0.73 CA2 (0.32) PIM1
SCHEMBL3465642 0.72 LOX (0.39)
SCHEMBL14268543 0.71
SCHEMBL4422438 0.71 GRM4 (0.46) GRM4KDM4EPLAU

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-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (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-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 GRM4 808/4885NOS3 2499/4885NOS2 4059/4885

“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.