SCHEMBL3973745

SCHEMBL3973745

N=C(NOC(=O)ONC(=N)Nc1ccc(F)cc1)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
TGM2 P21980 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL3969793 0.81 NPC1 (0.55) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL3723958 0.81 NAPRT (0.52) KMT2APOLBTGM2NPC1RAB9A
SCHEMBL2945477 0.81 EPHX2 (0.58) ALDH1A1MEN1KMT2ATGM2CA12
SCHEMBL173657 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBTGM2
SCHEMBL3975948 0.79 NPC1 (0.59) ALDH1A1MEN1KMT2APOLBTGM2
SCHEMBL4101986 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2APOLBTGM2
SCHEMBL12505836 0.78 MEN1 (0.56) ALDH1A1MEN1KMT2APOLBTGM2
SCHEMBL5658795 0.77 CA1 (0.62) MEN1KMT2ACA12CA1CA2
SCHEMBL5659088 0.76 TGM2 (0.51) TGM2CA12CA1CA2CA9
SCHEMBL3674744 0.73 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBTGM2

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
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB ALDH1A1 3516/4885MEN1 319/4885KMT2A 557/4885

“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.