SCHEMBL3703337

SCHEMBL3703337

NC(=O)c1cccc2nc(-c3ccc(Br)cc3)oc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.62
ESR2 Q92731 4/20 0.54
ESR1 P03372 2/20 0.54
RXFP1 Q9HBX9 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GRM2 Q14416 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR3A P46098 4/20 0.41
CETP P11597 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 0.87 DHODH (0.81) DHODHESR2ESR1NPC1RAB9A
SCHEMBL204887 0.87 DHODH (0.76) DHODHESR2ESR1NPC1RAB9A
SCHEMBL205922 0.85 DHODH (0.64) DHODHESR2ESR1RXFP1HDAC6
SCHEMBL205559 0.84 DHODH (0.59) DHODHESR2ESR1RXFP1HDAC6
SCHEMBL16495294 0.82 DHODH (0.64) DHODHESR2ESR1RXFP1NPC1
SCHEMBL204513 0.81 DHODH (0.62) DHODHESR2ESR1HDAC6ALDH1A1
SCHEMBL205794 0.81 DHODH (0.59) DHODHESR2ESR1NPC1RAB9A
SCHEMBL206779 0.80 DHODH (0.54) DHODHESR2ESR1NPC1SMN1; SMN2
SCHEMBL3788429 0.80 DHODH (0.54) DHODHESR2ESR1MAPTHTR3A
SCHEMBL205115 0.80 DHODH (0.54) DHODHESR2ESR1NPC1MAPT

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 3 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
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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.