SCHEMBL13700249

SCHEMBL13700249

CC(C)(C)N(CCO)Cc1ccc(C(=O)Nc2c(C(N)=O)oc3c(F)cc(F)cc23)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 3/20 0.33
MAPK10 P53779 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL13700241 0.89 PTGDR2 (0.36) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700243 0.88 MAPT (0.40) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700228 0.85 SMYD3 (0.41) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700207 0.85 MAPK10 (0.39) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700233 0.84 MAPT (0.40) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700242 0.82 MAPT (0.40) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL4255128 0.82 NPC1 (0.43) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700239 0.82 GRM2 (0.40) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700250 0.82 KCNH2 (0.38) TSHRPTGDR2MAPTMAPK10HSD17B10
SCHEMBL13700247 0.81 MAPT (0.39) TSHRPTGDR2MAPTMAPK10HSD17B10

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 231/4885PTGDR2 421/4885MAPT 4025/4885

“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.