SCHEMBL1327147

SCHEMBL1327147

CCC(O)c1c(F)cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PDE2A O00408 1/20 0.37
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
MC4R P32245 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
ADRB1 P08588 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
IGF1R P08069 1/20 0.30
EED O75530 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
SCHEMBL14252877 1.00 LMNA (0.39) LMNACES2CES1PDE2AKMT2A
SCHEMBL12124852 1.00 LMNA (0.39) LMNACES2CES1PDE2AKMT2A
SCHEMBL12186095 0.86 LMNA (0.46) LMNACES2CES1PDE2ARECQL
SCHEMBL22781311 0.81 ALDH1A1 (0.35) CES2CES1KMT2ATDP1ALDH1A1
SCHEMBL31602602 0.79 PPARG (0.40) CES2CES1TDP1SLC6A2SLC6A4
SCHEMBL6745071 0.79 CES2 (0.41) CES2CES1KMT2AALDH1A1HTT
SCHEMBL6453267 0.78 GAA (0.41) LMNACES2CES1PDE2AKMT2A
SCHEMBL649606 0.77 AKR1C3 (0.41) CES2CES1ALDH1A1HTT
SCHEMBL17433919 0.77 LMNA (0.38) LMNAPDE2ARECQL
SCHEMBL14252865 0.76 LMNA (0.38) LMNACES2CES1PDE2ARECQL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
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
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 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 (3 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 LMNA 3672/4885CES2 4315/4885CES1 2744/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 LMNA 3672/4885CES2 4315/4885CES1 2744/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 LMNA 3866/4885CES2 4403/4885CES1 2442/4885

“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.