SCHEMBL13699813

SCHEMBL13699813

COc1cccc2c(NC(=O)c3ccco3)c(C(N)=O)oc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.63
TP53 P04637 5/20 0.63
MAPK10 P53779 2/20 0.63
TSHR P16473 6/20 0.59
GAA P10253 4/20 0.59
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 3/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL13699858 0.81 MAPT (0.64) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL5691055 0.79 RAB9A (0.63) HSD17B10TP53TSHRGAAHPGD
SCHEMBL13699703 0.78 TSHR (0.57) HSD17B10TP53MAPK10TSHRHPGD
SCHEMBL13699811 0.77 TP53 (0.68) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL13699812 0.77 HSD17B10 (0.68) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL4256297 0.74 MAPK10 (0.61) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL13699810 0.73 TP53 (0.72) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL13699809 0.73 TP53 (0.72) HSD17B10TP53MAPK10TSHRGAA
SCHEMBL11128849 0.73 ALDH1A1 (0.51) HSD17B10TP53HPGDALDH1A1KDM4E
SCHEMBL4251368 0.73 ALDH1A1 (0.51) HSD17B10HPGDALDH1A1KDM4EMAPT

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 HSD17B10 1250/4885TP53 4721/4885MAPK10 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.