SCHEMBL206911

SCHEMBL206911

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
MAPT P10636 7/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CDC7 O00311 1/20 0.49
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ELANE P08246 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSMB8 P28062 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 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
SCHEMBL205819 0.90 TDP1 (0.55) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL208169 0.88 PARP1 (0.57) RAB9AMAPTMEN1KMT2ACDC7
SCHEMBL206178 0.81 PARP1 (0.54) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL17929365 0.81 TOP2A (0.72) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL204764 0.81 TOP2A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1PARP1
SCHEMBL4518950 0.80 RAB9A (0.57) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3710917 0.78 TOP2A (0.58) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL205623 0.78 MMP2 (0.59) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL206244 0.76 PKN1 (0.52) MAPTCDC7SMN1; SMN2ALDH1A1PARP1
SCHEMBL2491306 0.76 MMP2 (0.72) RAB9AMAPTMEN1KMT2ANPC1

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 RAB9A 3649/4885MAPT 1527/4885MEN1 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.