SCHEMBL4125534

SCHEMBL4125534

CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK10 P53779 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 8/20 0.46
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
AHR P35869 1/20 0.41

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
SCHEMBL1852128 0.90 HPGD (0.55) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1853596 0.86 HPGD (0.52) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL4552452 0.85 TSHR (0.52) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1848031 0.84 KDM4E (0.46) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1851168 0.82 ALDH1A1 (0.41) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1851896 0.81 KMT2A (0.52) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1850906 0.79 HPGD (0.58) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL13699719 0.75 MAPT (0.60) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1852060 0.75 ESR2 (0.49) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL1849293 0.74 BACE1 (0.50) HPGDKMT2AALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 HPGD 2284/4885KMT2A 2152/4885ALDH1A1 315/4885

“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.