SCHEMBL13699694

SCHEMBL13699694

NC(=O)c1oc2c(Br)cc(F)cc2c1NC(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
TSHR P16473 2/20 0.48
MAPK10 P53779 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
AHR P35869 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.43
CYP1A2 P05177 2/20 0.42
KCNK3 O14649 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
KCNJ11 Q14654 1/20 0.40

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
SCHEMBL13699698 0.89 TP53 (0.50) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699699 0.81 TP53 (0.65) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699696 0.81 TSHR (0.52) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699706 0.79 KCNJ11 (0.54) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699897 0.79 MAPK10 (0.45) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699703 0.78 TSHR (0.57) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699719 0.78 MAPT (0.60) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL4253002 0.77 TSHR (0.45) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699926 0.77 TSHR (0.66) TP53TSHRMAPK10HSD17B10MAPT
SCHEMBL13699770 0.77 TSHR (0.55) TP53TSHRMAPK10HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 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 (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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F TP53 4721/4885TSHR 231/4885MAPK10 3802/4885

“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.