SCHEMBL4119378

SCHEMBL4119378

COc1ccc2oc(C(N)=O)c(NC(=O)[C@H]3CCCN3C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 5/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK10 P53779 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
RAD52 P43351 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL4113379 1.00 CYP2C9 (0.46) CYP2C9CYP2C19ALDH1A1KDM4ETP53
SCHEMBL1855333 0.88 NPSR1 (0.49) ALDH1A1KDM4ETP53HPGDTSHR
SCHEMBL1849965 0.88 NPSR1 (0.49) ALDH1A1KDM4ETP53HPGDTSHR
SCHEMBL4115321 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4128711 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4274546 0.78 KDM4E (0.47) ALDH1A1KDM4ETP53HPGDTSHR
SCHEMBL4274709 0.78 KDM4E (0.47) ALDH1A1KDM4ETP53HPGDTSHR
SCHEMBL1851819 0.76 USP30 (0.53) ALDH1A1KDM4ETSHRHTTMEN1
SCHEMBL1850141 0.76 USP30 (0.53) ALDH1A1KDM4ETSHRHTTMEN1
SCHEMBL4279864 0.75 KDM4E (0.43) ALDH1A1KDM4ETP53HPGDTSHR

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 CYP2C9 138/4885CYP2C19 11/4885ALDH1A1 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.