SCHEMBL1327907

SCHEMBL1327907

CCc1cccc(CC)c1-c1cc(Oc2cc(OC)cc(OC)c2)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.44
ABCB1 P08183 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GNRHR P30968 1/20 0.39
ACHE P22303 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 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
SCHEMBL1329410 0.91 C5AR1 (0.54) C5AR1KDM4EPOLBALDH1A1MAPK1
SCHEMBL2140546 0.87 PRMT5 (0.43) C5AR1KDM4EPOLBGNRHRL3MBTL1
SCHEMBL1327445 0.87 C5AR1 (0.42) C5AR1KDM4EPOLBALDH1A1TAAR1
SCHEMBL2141591 0.86 L3MBTL1 (0.43) C5AR1KDM4EPOLBABCB1ALDH1A1
SCHEMBL1327975 0.85 MEN1 (0.48) C5AR1KDM4EABCB1ACHELMNA
SCHEMBL1327932 0.85 C5AR1 (0.41) C5AR1KDM4EPOLBALDH1A1TAAR1
SCHEMBL2138901 0.85 MEN1 (0.48) C5AR1KDM4EPOLBALDH1A1MAPK1
SCHEMBL1329288 0.85 MAPT (0.42) C5AR1KDM4EPOLBALDH1A1MAPK1
SCHEMBL1327356 0.84 C5AR1 (0.46) C5AR1KDM4EPOLBALDH1A1MAPK1
SCHEMBL2143258 0.84 KMT2A (0.44) C5AR1KDM4EALDH1A1MAPK1MAPT

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 C5AR1 2/4885KDM4E 2088/4885POLB 4733/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885KDM4E 2088/4885POLB 4733/4885

“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.