SCHEMBL4417666

SCHEMBL4417666

CCc1cccc(CC)c1-c1cc(C(N)=O)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
PARP2 Q9UGN5 2/20 0.44
PARP1 P09874 2/20 0.44
C5AR1 P21730 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
CD44 P16070 1/20 0.40
HTT P42858 4/20 0.39
MAPT P10636 2/20 0.39
DHFR P00374 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.39
NOS1 P29475 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1329650 0.86 LMNA (0.46) KMT2AMEN1LMNAC5AR1GAA
SCHEMBL4417669 0.85 C5AR1 (0.42) KMT2AMEN1LMNAC5AR1GAA
SCHEMBL1329134 0.85 LMNA (0.44) KMT2AMEN1LMNAC5AR1GAA
SCHEMBL1327169 0.84 MAOB (0.42) KMT2AMEN1LMNAPARP2PARP1
SCHEMBL1327975 0.83 MEN1 (0.48) KMT2AMEN1LMNAC5AR1KDM4E
SCHEMBL1329410 0.82 C5AR1 (0.54) KMT2AMEN1LMNAC5AR1ALDH1A1
SCHEMBL1328209 0.81 C5AR1 (0.43) KMT2AMEN1LMNAC5AR1GAA
SCHEMBL1327356 0.80 C5AR1 (0.46) KMT2AMEN1LMNAC5AR1GAA
SCHEMBL2140428 0.80 C5AR1 (0.41) KMT2AMEN1LMNAC5AR1ALDH1A1
SCHEMBL1327354 0.79 C5AR1 (0.44) KMT2AMEN1LMNAC5AR1CD44

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-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KMT2A 3960/4885MEN1 3563/4885LMNA 3672/4885

“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.