SCHEMBL205895

SCHEMBL205895

NC(=O)c1cccc2nc(C3CN(C(=O)OCc4ccccc4)C3)oc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK1 P23458 6/20 0.41
JAK2 O60674 5/20 0.41
GRIN2B Q13224 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PARP1 P09874 2/20 0.40
ENPP2 Q13822 1/20 0.40
LCK P06239 1/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDE4B Q07343 1/20 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
SCHEMBL206737 0.92 LCK (0.46) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL206528 0.90 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL205524 0.88 HSD17B10 (0.42) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL205859 0.83 AADAT (0.44) SMN1; SMN2CYP2C19
SCHEMBL2565728 0.82 LMNA (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL204967 0.81 LCK (0.46) SMN1; SMN2MEN1KMT2ANPSR1JAK1
SCHEMBL206285 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL3400558 0.76 DRD4 (0.47) NPSR1PARP1PARP2
SCHEMBL204172 0.74 PARP1 (0.41) KMT2AJAK1JAK2PARP1
SCHEMBL206773 0.72 PARP1 (0.49) KMT2APARP1TNKSTNKS2PARP2

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 SMN1; SMN2 1318/4885CYP2C19 632/4885MEN1 3535/4885

“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.