SCHEMBL205968

SCHEMBL205968

CN(C)CCc1ccc(-c2nc3cccc(C(N)=O)c3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
NUDT1 P36639 1/20 0.45
PARP1 P09874 2/20 0.41
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CETP P11597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADA P00813 1/20 0.39
HTR3A P46098 3/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38

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
SCHEMBL206779 0.88 DHODH (0.54) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL205229 0.84 DHODH (0.52) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL207994 0.83 DHODH (0.47) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL205426 0.82 DHODH (0.50) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL205115 0.81 DHODH (0.54) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL205516 0.80 PARP1 (0.54) DHODHESR2ESR1PARP1PARP2
SCHEMBL16495358 0.79 DHODH (0.81) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL204887 0.79 DHODH (0.76) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL205898 0.79 DHODH (0.51) DHODHESR2ESR1PARP1MTNR1A
SCHEMBL206075 0.78 VSIR (0.63) DHODHESR2ESR1PARP1

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 2441/4885ESR2 1492/4885ESR1 2161/4885

“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.