SCHEMBL4065378

SCHEMBL4065378

O=c1ccc2c(-c3ccccc3F)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.50
TNKS O95271 1/20 0.50
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42

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
SCHEMBL8987025 0.84 HTT (0.61) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL4072222 0.84 MAPK14 (0.44) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL1082903 0.83 DAO (0.53) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL4066860 0.78 PDE3B (0.55) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL6330094 0.73 MAPK14 (0.53) MAPK14
SCHEMBL9989315 0.72 PDE3B (0.48) HPGDHTTSMN1; SMN2MAPK1CA12
SCHEMBL30740094 0.71 MEN1 (0.66) TNKS2TNKSHPGDSMN1; SMN2MAPK1
SCHEMBL15637271 0.70 HPGD (0.48) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL10285341 0.70 CA12 (0.48) TNKS2TNKSHPGDHTTSMN1; SMN2
SCHEMBL19390772 0.69 GAA (0.53) TNKS2HPGDHTTSMN1; SMN2MAPK1

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
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
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
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 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 TNKS2 953/4885TNKS 1155/4885HPGD 3062/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 TNKS2 953/4885TNKS 1155/4885HPGD 3062/4885

“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.