SCHEMBL205819

SCHEMBL205819

O=C(O)c1cccc2oc(-c3cccc([N+](=O)[O-])c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ELANE P08246 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PSMB8 P28062 1/20 0.48
CSNK2A1 P68400 1/20 0.47
TOP2A P11388 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL206911 0.90 RAB9A (0.51) TDP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL205623 0.87 MMP2 (0.59) TDP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17929365 0.83 TOP2A (0.72) TDP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4518950 0.82 RAB9A (0.57) TDP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL121325 0.81 TOP2A (0.65) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5834375 0.80 MEN1 (0.66) TDP1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28926584 0.79 TOP2A (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8666363 0.79 TOP2A (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL121768 0.79 IKBKB (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3962448 0.78 RAB9A (0.65) TDP1RAB9ANPC1MAPTSMN1; SMN2

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 TDP1 67/4885RAB9A 3649/4885NPC1 2716/4885

“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.