SCHEMBL206178

SCHEMBL206178

NC(=O)c1cccc2oc(-c3cccc(N)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.54
NPC1 O15118 6/20 0.52
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
PLK4 O00444 1/20 0.48
MAP4K4 O95819 1/20 0.48
EGFR P00533 1/20 0.48
ROS1 P08922 1/20 0.48
PIM1 P11309 1/20 0.48
AXL P30530 1/20 0.48
FLT3 P36888 1/20 0.48
FRK P42685 1/20 0.48
MAP4K2 Q12851 1/20 0.48
NTRK3 Q16288 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL206525 0.86 PARP1 (0.52) PARP1NPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL204764 0.86 TOP2A (0.61) PARP1NPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL3710917 0.83 TOP2A (0.58) PARP1NPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL206911 0.81 RAB9A (0.51) PARP1NPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL206244 0.81 PKN1 (0.52) PARP1KDM4ESMN1; SMN2PLK4MAP4K4
SCHEMBL205422 0.80 PARP1 (0.56) PARP1NPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL31631310 0.80 NPC1 (0.57) NPC1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL205783 0.80 IKBKB (0.56) PARP1NPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL17931468 0.80 TOP2A (0.78) NPC1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL30597434 0.80 NPC1 (0.60) NPC1KDM4ESMN1; SMN2KMT2AGAA

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 4 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
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 PARP1 1/4885NPC1 2716/4885KDM4E 1650/4885

“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.