SCHEMBL13699756

SCHEMBL13699756

COc1cccc(C(=O)Nc2c(C(N)=O)oc3ccc(F)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.77
HSD17B10 Q99714 4/20 0.77
MEN1 O00255 3/20 0.77
HPGD P15428 3/20 0.77
KMT2A Q03164 3/20 0.77
NPSR1 Q6W5P4 2/20 0.77
MAPK10 P53779 2/20 0.77
MAPT P10636 12/20 0.67
RXFP1 Q9HBX9 3/20 0.67
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 7/20 0.57
AHR P35869 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ADCY1 Q08828 1/20 0.51
CYP1A2 P05177 1/20 0.49

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
SCHEMBL13699927 0.92 TSHR (0.77) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699702 0.92 TSHR (0.70) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699931 0.90 HSD17B10 (0.62) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699767 0.90 HPGD (0.64) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699936 0.89 TSHR (0.62) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699954 0.88 MEN1 (0.60) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699755 0.88 MAPT (0.64) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699699 0.88 TP53 (0.65) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699761 0.88 HPGD (0.59) TSHRHSD17B10MEN1HPGDKMT2A
SCHEMBL13699932 0.87 TSHR (0.59) TSHRHSD17B10MEN1HPGDKMT2A

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 TSHR 231/4885HSD17B10 1250/4885MEN1 4409/4885

“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.