SCHEMBL5794772

SCHEMBL5794772

N#Cc1ccc2[nH]c(=O)n(CCc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
PGR P06401 3/20 0.46
MAOB P27338 1/20 0.44
HTR6 P50406 3/20 0.44
KCNH2 Q12809 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL8248960 0.80 LMNA (0.64) POLBKMT2AL3MBTL1MAPK1MAPT
SCHEMBL16883632 0.79 CYP1A2 (0.55) KMT2APGRMAOBMAPTTSHR
SCHEMBL5795452 0.78 KMT2A (0.52) POLBKMT2AL3MBTL1PGRMAOB
SCHEMBL6612100 0.78 PGR (0.44) KMT2AL3MBTL1HDAC8HDAC6HDAC1
SCHEMBL25720013 0.75 PGR (0.48) PGRHTR6KCNH2LMNAHTT
SCHEMBL4241189 0.74 LMNA (0.51) L3MBTL1PGRMAOBMAPTLMNA
SCHEMBL8019318 0.74 LMNA (0.69) POLBKMT2APGRHTR6MAPK1
SCHEMBL7098938 0.74 ALDH1A1 (0.63) POLBKMT2AHDAC8HDAC6HDAC1
SCHEMBL2314659 0.73 PGR (0.46) KMT2APGRMAPTTSHRTDP1
SCHEMBL8249148 0.73 LMNA (0.68) POLBKMT2AKCNH2MAPK1MAPT

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
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A POLB 2380/4885KMT2A 507/4885L3MBTL1 1675/4885

“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.