SCHEMBL206188

SCHEMBL206188

COC(=O)c1cccc2nc(C3(C)CCCN3C(=O)OCc3ccccc3)oc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL205393 0.92 HCRTR1 (0.41) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL204172 0.90 PARP1 (0.41) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL204347 0.80 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL203473 0.79 PARP1 (0.45) HCRTR1HCRTR2
SCHEMBL30578080 0.77 PARP1 (0.51) HCRTR1HCRTR2
SCHEMBL206285 0.76 SMN1; SMN2 (0.49) KMT2AKDM4EALDH1A1
SCHEMBL205524 0.75 HSD17B10 (0.42) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL15069469 0.75 MEN1 (0.37) KMT2AALDH1A1
SCHEMBL15069194 0.75 MEN1 (0.37) KMT2AALDH1A1
SCHEMBL206054 0.74 AADAT (0.44) KMT2AKDM4EALDH1A1

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 HCRTR1 2614/4885HCRTR2 3083/4885ESR1 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.