SCHEMBL16495294

SCHEMBL16495294

NC(=O)c1cccc2nc(-c3ccc(-c4cccc(N)c4)cc3)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.64
ESR2 Q92731 2/20 0.53
ESR1 P03372 1/20 0.53
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
PARP1 P09874 2/20 0.45
PLK4 O00444 1/20 0.45
MAP4K4 O95819 1/20 0.45
EGFR P00533 1/20 0.45
ROS1 P08922 1/20 0.45
PIM1 P11309 1/20 0.45
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
FRK P42685 1/20 0.45
MAP4K2 Q12851 1/20 0.45
NTRK3 Q16288 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
AURKB Q96GD4 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
MKNK2 Q9HBH9 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
SCHEMBL16495358 0.88 DHODH (0.81) DHODHESR2ESR1NPC1RAB9A
SCHEMBL204887 0.85 DHODH (0.76) DHODHESR2ESR1NPC1RAB9A
SCHEMBL5834396 0.84 DHODH (0.70) DHODHESR2ESR1NPC1RAB9A
SCHEMBL205922 0.83 DHODH (0.64) DHODHESR2ESR1PARP1PLK4
SCHEMBL205308 0.82 DHODH (0.56) DHODHESR2ESR1PARP1PLK4
SCHEMBL3703337 0.82 DHODH (0.62) DHODHESR2ESR1NPC1RAB9A
SCHEMBL204513 0.81 DHODH (0.62) DHODHESR2ESR1PARP1MKNK2
SCHEMBL3780350 0.81 DHODH (0.55) DHODHESR2ESR1NPC1RAB9A
SCHEMBL205559 0.80 DHODH (0.59) DHODHESR2ESR1PARP1PLK4
SCHEMBL505539 0.78 DHODH (1.00) DHODHESR2ESR1NPC1RAB9A

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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 DHODH 734/4885ESR2 3623/4885ESR1 4695/4885

“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.