SCHEMBL204097

SCHEMBL204097

COC(=O)c1cccc2nc(-c3ccc(-c4ccncc4)cc3)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.60
CETP P11597 3/20 0.57
ESR2 Q92731 2/20 0.56
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
HTR3A P46098 4/20 0.46
TOP2A P11388 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
LMNA P02545 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
SCHEMBL204884 0.97 CETP (0.56) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL205349 0.92 DHODH (0.53) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL205921 0.88 DHODH (0.58) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL205602 0.87 CETP (0.61) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL9126988 0.87 DHODH (0.70) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL2957776 0.86 DHODH (0.58) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL21794368 0.86 DHODH (0.58) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL2957208 0.86 CETP (0.60) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL2959887 0.86 HTR3A (0.58) DHODHCETPESR2ALDH1A1SMN1; SMN2
SCHEMBL205159 0.86 CETP (0.45) DHODHCETPESR2ALDH1A1SMN1; SMN2

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-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 2441/4885CETP 2602/4885ESR2 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.