SCHEMBL3032849

SCHEMBL3032849

Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3ccccc3)c2F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGES O14684 1/20 0.37
P2RX7 Q99572 4/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL3033032 0.95 MAPK8 (0.37) MAPK8ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL13982264 0.89 POLB (0.37) PTGESP2RX7POLB
SCHEMBL3806168 0.87 CYP3A4 (0.42) PKMMAPK1PTGESSMN1; SMN2
SCHEMBL13217563 0.86 PKM (0.40) MAPK8ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL13982259 0.85 CYP3A4 (0.38) PTGESP2RX7
SCHEMBL13982109 0.85 CYP3A4 (0.33) PTGESP2RX7ROCK2ROCK1
SCHEMBL13982160 0.85 PTGES (0.36) PTGES
SCHEMBL13982434 0.85 PTGES (0.35) ALDH1A1PTGESP2RX7KMT2A
SCHEMBL13982372 0.85 PTGES (0.37) ALDH1A1HTTPTGESP2RX7ROCK2
SCHEMBL13981694 0.84 PTGES (0.33) PTGESP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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 (1 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MAPK8 2972/4885ALDH1A1 348/4885TDP1 243/4885

“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.