SCHEMBL16495358

SCHEMBL16495358

NC(=O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.81
ESR2 Q92731 3/20 0.56
ESR1 P03372 2/20 0.56
IKBKB O14920 1/20 0.49
ELANE P08246 1/20 0.49
HTR3A P46098 1/20 0.48
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
PARP1 P09874 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CETP P11597 1/20 0.43

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
SCHEMBL204887 0.97 DHODH (0.76) DHODHESR2ESR1IKBKBELANE
SCHEMBL505539 0.90 DHODH (1.00) DHODHESR2ESR1ELANEHTR3A
SCHEMBL205922 0.89 DHODH (0.64) DHODHESR2ESR1IKBKBHTR3A
SCHEMBL16495294 0.88 DHODH (0.64) DHODHESR2ESR1IKBKBHTR3A
SCHEMBL3703337 0.87 DHODH (0.62) DHODHESR2ESR1HTR3ANPC1
SCHEMBL204513 0.87 DHODH (0.62) DHODHESR2ESR1IKBKBELANE
SCHEMBL121400 0.86 DHODH (0.94) DHODHESR2ESR1ELANEHTR3A
SCHEMBL205559 0.86 DHODH (0.59) DHODHESR2ESR1HTR3AMTNR1A
SCHEMBL205794 0.84 DHODH (0.59) DHODHESR2ESR1HTR3APARP1
SCHEMBL205308 0.83 DHODH (0.56) DHODHESR2ESR1IKBKBPARP1

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.