SCHEMBL206381

SCHEMBL206381

COC(=O)c1cccc(N(O)C(=O)C2CCCN2C(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
PREP P48147 5/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GFER P55789 1/20 0.50
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CTRB1 P17538 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3208231 0.85 PREP (0.53) NPSR1PREPALDH1A1TP53MEN1
SCHEMBL206538 0.83 SMN1; SMN2 (0.59) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL206215 0.81 SMN1; SMN2 (0.47) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL204284 0.79 TMEM97 (0.45) NPSR1PREPALDH1A1TP53MEN1
SCHEMBL2793443 0.79 NPSR1 (0.62) NPSR1PREPALDH1A1TP53MEN1
SCHEMBL26364677 0.79 PREP (0.59) NPSR1PREPALDH1A1KMT2AGFER
SCHEMBL206310 0.78 OPRM1 (0.43) ALDH1A1TP53MEN1KMT2ASMN1; SMN2
SCHEMBL10756725 0.78 PREP (0.62) NPSR1PREPALDH1A1TP53MEN1
SCHEMBL489615 0.78 PREP (0.62) NPSR1PREPALDH1A1TP53MEN1
SCHEMBL10756717 0.78 PREP (0.62) NPSR1PREPALDH1A1TP53MEN1

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 NPSR1 3547/4885PREP 419/4885ALDH1A1 398/4885

“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.