SCHEMBL1853482

SCHEMBL1853482

CC(C)(C)C(NC(=O)O)C1CCC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
TSHR P16473 6/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 7/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
DHODH Q02127 1/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL4277750 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL1853887 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL1853886 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL4119214 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL4119222 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL4272956 0.79 KMT2A (0.48) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL4119216 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL1853485 0.78 TSHR (0.46) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL1849605 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHTTKMT2A
SCHEMBL1851581 0.76 NPC1 (0.51) ALDH1A1KDM4ETSHRHTTKMT2A

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
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
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 ALDH1A1 315/4885KDM4E 1855/4885TSHR 1203/4885

“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.