SCHEMBL1330100

SCHEMBL1330100

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(F)cccc2Cl)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
C5AR1 P21730 2/20 0.36
NR1H4 Q96RI1 3/20 0.35
MEN1 O00255 3/20 0.33
DHODH Q02127 1/20 0.33
S1PR1 P21453 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1328473 0.93 C5AR1 (0.38) KMT2AALDH1A1C5AR1NR1H4S1PR1
SCHEMBL1328648 0.93 C5AR1 (0.38) KMT2AALDH1A1C5AR1MEN1DHODH
SCHEMBL1329563 0.90 C5AR1 (0.37) C5AR1NR1H4S1PR1MAPTKDM4E
SCHEMBL1328339 0.89 C5AR1 (0.35) C5AR1NR1H4S1PR1
SCHEMBL1328222 0.87 MRGPRX4 (0.38) C5AR1NR1H4S1PR1LMNAHPGD
SCHEMBL1329873 0.86 C5AR1 (0.36) KMT2AC5AR1NR1H4MEN1MAPT
SCHEMBL1329172 0.85 FFAR1 (0.39) C5AR1
SCHEMBL1327998 0.85 MRGPRX4 (0.39) C5AR1CYP2C9CYP2C19
SCHEMBL1329454 0.83 FFAR1 (0.38) C5AR1MAPTHPGD
SCHEMBL1329519 0.83 C5AR1 (0.38) ALDH1A1C5AR1NR1H4S1PR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KMT2A 3960/4885ALDH1A1 1966/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KMT2A 3960/4885ALDH1A1 1966/4885C5AR1 2/4885

“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.