SCHEMBL205744

SCHEMBL205744

COC(=O)c1cccc2nc(-c3ccc(CN4CCNCC4)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.50
ESR2 Q92731 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DHODH Q02127 1/20 0.46
CHRM3 P20309 3/20 0.45
SYK P43405 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTR3A P46098 2/20 0.43
CXCR4 P61073 1/20 0.42

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
SCHEMBL205823 0.90 CHRM3 (0.55) MEN1KMT2ACHRM3
SCHEMBL204945 0.87 DHODH (0.48) ESR2DHODHCXCR4
SCHEMBL206621 0.81 MEN1 (0.48) CETPESR2MEN1KMT2ADHODH
SCHEMBL24871288 0.81 CETP (0.58) CETPESR2KMT2ADHODHKDM4E
SCHEMBL205917 0.80 CETP (0.57) CETPESR2KMT2ADHODHKDM4E
SCHEMBL206427 0.79 CETP (0.56) CETPESR2KMT2ADHODHKDM4E
SCHEMBL2957776 0.79 DHODH (0.58) CETPESR2DHODHKDM4EHTR3A
SCHEMBL205133 0.78 CETP (0.56) CETPESR2DHODHKDM4EHTR3A
SCHEMBL206340 0.78 CETP (0.56) CETPESR2MEN1KMT2ADHODH
SCHEMBL205602 0.77 CETP (0.61) CETPESR2DHODHKDM4EHTR3A

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 CETP 2602/4885ESR2 1492/4885MEN1 3535/4885

“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.