SCHEMBL206052

SCHEMBL206052

COC(=O)c1cccc2nc(-c3ccc(CCN(C)C(=O)OCc4ccccc4)cc3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.49
DHODH Q02127 1/20 0.47
ESR2 Q92731 2/20 0.45
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
ABCC1 P33527 1/20 0.39
ESR1 P03372 2/20 0.39
TOP2A P11388 1/20 0.39
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL207994 0.90 DHODH (0.47) CETPDHODHESR2MAPTNPC1
SCHEMBL206155 0.83 DHODH (0.58) CETPDHODHESR2MAPTMTNR1A
SCHEMBL205413 0.81 DHODH (0.49) CETPDHODHESR2MAPTMTNR1A
SCHEMBL205133 0.79 CETP (0.56) CETPDHODHESR2MAPTKDM4E
SCHEMBL9126988 0.78 DHODH (0.70) CETPDHODHESR2MAPTKDM4E
SCHEMBL24871288 0.77 CETP (0.58) CETPDHODHESR2MAPTKDM4E
SCHEMBL207330 0.77 CETP (0.54) CETPDHODHESR2MAPTKDM4E
SCHEMBL205917 0.76 CETP (0.57) CETPDHODHESR2MAPTKDM4E
SCHEMBL206427 0.75 CETP (0.56) CETPDHODHESR2MAPTKDM4E
SCHEMBL206340 0.74 CETP (0.56) CETPDHODHESR2MAPTKDM4E

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 disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 CETP 2602/4885DHODH 2441/4885ESR2 1492/4885

“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.