SCHEMBL1329013

SCHEMBL1329013

CCCCCc1cc(Cl)c(C(=O)OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
GALK1 P51570 1/20 0.43
PLA2G2A P14555 3/20 0.40
CNR1 P21554 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL22717323 0.81 MAPT (0.40) MAPTALDH1A1KDM4ETSHR
SCHEMBL27983886 0.74 MAPT (0.42) MAPTALDH1A1CNR1SMN1; SMN2CNR2
SCHEMBL8628648 0.74 SMN1; SMN2 (0.46) MAPTGALK1SMN1; SMN2KDM4E
SCHEMBL474122 0.74 KDM4E (0.44) MAPTALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL29551416 0.74 KDM4E (0.44) MAPTALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL12248211 0.74 MAPK1 (0.42) MAPTALDH1A1KDM5AKDM4CKDM5B
SCHEMBL20476379 0.73 PPARA (0.57) MAPTSMN1; SMN2
SCHEMBL845815 0.72 MAPK1 (0.53) MAPTALDH1A1KDM5AKDM4CKDM5B
SCHEMBL2217864 0.72 GAA (0.42) MAPTALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL8495483 0.72 GAA (0.42) MAPTALDH1A1SMN1; SMN2KDM4ETSHR

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 MAPT 4726/4885ALDH1A1 1966/4885GALK1 3367/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MAPT 4726/4885ALDH1A1 1966/4885GALK1 3367/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 MAPT 4628/4885ALDH1A1 1444/4885GALK1 3171/4885

“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.