SCHEMBL4064478

SCHEMBL4064478

Cc1ccc(-c2cccc3c2ccc(=O)n3-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ABCB1 P08183 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KAT2B Q92831 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
PTGS1 P23219 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
SCHEMBL13702959 1.00 MAPK14 (0.47) MAPK14NPSR1RXFP1ABCB1POLB
SCHEMBL4069015 0.93 MAPK14 (0.52) MAPK14NPSR1RXFP1HKDC1PTGS1
SCHEMBL27630502 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4060643 0.80 MAPK14 (0.49) MAPK14SMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL4068837 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL23182197 0.71 NPSR1 (0.49) MAPK14NPSR1RXFP1SMN1; SMN2HTT
SCHEMBL13096332 0.69 KDM4E (0.52) NPSR1RXFP1SMN1; SMN2HTTKMT2A
SCHEMBL4290818 0.69 CYP17A1 (0.42) MAPK14SMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL24465924 0.69 PIK3CA (0.48) MAPK14NPSR1RXFP1SMN1; SMN2HTT
SCHEMBL8040091 0.67 CA12 (0.52) NPSR1SMN1; SMN2TSHRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP claimed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US claimed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP claimed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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 (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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885NPSR1 499/4885RXFP1 2253/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885NPSR1 499/4885RXFP1 2253/4885

“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.