SCHEMBL205848

SCHEMBL205848

NC(=O)c1cccc2nc(-c3cccc(-c4ccccn4)c3)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.53
GRM5 P41594 1/20 0.46
PARP1 P09874 2/20 0.45
PARP2 Q9UGN5 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 1/20 0.40
CDC7 O00311 2/20 0.40
PDE4B Q07343 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
SCHEMBL205794 0.91 DHODH (0.59) DHODHGRM5PARP1PARP2ESR1
SCHEMBL205526 0.85 CETP (0.52) DHODHGRM5ESR2SMN1; SMN2KDM4E
SCHEMBL205609 0.85 DHODH (0.45) DHODHGRM5PARP1PARP2ESR1
SCHEMBL204887 0.82 DHODH (0.76) DHODHPARP1ESR1ESR2KDM4E
SCHEMBL205308 0.82 DHODH (0.56) DHODHPARP1PARP2ESR1ESR2
SCHEMBL205583 0.80 MKNK1 (0.51) DHODHPARP1PARP2ESR1ESR2
SCHEMBL16495358 0.80 DHODH (0.81) DHODHPARP1ESR1ESR2KDM4E
SCHEMBL205559 0.77 DHODH (0.59) DHODHPARP1PARP2ESR1ESR2
SCHEMBL205134 0.77 IKBKB (0.56) DHODHPARP1PARP2ESR1ESR2
SCHEMBL204526 0.76 CETP (0.58) DHODHGRM5ESR2SMN1; SMN2KDM4E

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 claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
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 DHODH 2441/4885GRM5 3163/4885PARP1 1/4885

“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.