SCHEMBL1327052

SCHEMBL1327052

CCCC(OCc1ccncc1)c1cnc(-c2c(CC)cccc2CC)cc1OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 3/20 0.32
C5AR1 P21730 2/20 0.31
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AOC3 Q16853 1/20 0.30
ROCK2 O75116 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2141478 0.90 ALDH1A1 (0.40) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1328050 0.85 KDM4C (0.33) LMNAALDH1A1KMT2AHTTC5AR1
SCHEMBL1328274 0.84 ABCB1 (0.34) ABCB1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1326836 0.80 C5AR1 (0.36) C5AR1
SCHEMBL1327009 0.79 CCNC (0.36) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1328085 0.78 C5AR1 (0.36) ALDH1A1MEN1KMT2AC5AR1MAPT
SCHEMBL1328707 0.78 NPSR1 (0.38) LMNAHTTC5AR1MAPTNPSR1
SCHEMBL1328704 0.78 PDE4D (0.33) LMNAKMT2AC5AR1GAAMAPT
SCHEMBL1327067 0.78 RXRA (0.35) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1327582 0.76 NPSR1 (0.36) LMNAHTTC5AR1NPC1RAB9A

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 ABCB1 2107/4885LMNA 3672/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ABCB1 2107/4885LMNA 3672/4885ALDH1A1 1966/4885

“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.