SCHEMBL205393

SCHEMBL205393

CC1(c2nc3cccc(C(=O)O)c3o2)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
DHODH Q02127 1/20 0.39
ESR1 P03372 1/20 0.37
MAPT P10636 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL204172 0.93 PARP1 (0.41) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL206188 0.92 HCRTR1 (0.40) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL204347 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL203473 0.81 PARP1 (0.45) HCRTR1HCRTR2
SCHEMBL21643633 0.76 PARP1 (0.53) HCRTR1HCRTR2
SCHEMBL21643665 0.76 PARP1 (0.53) HCRTR1HCRTR2
SCHEMBL14665986 0.75 FAAH (0.44) KMT2A
SCHEMBL8238234 0.75 FAAH (0.44) KMT2A
SCHEMBL3398748 0.75 MEN1 (0.46) KMT2A
SCHEMBL28066540 0.74

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 HCRTR1 2614/4885HCRTR2 3083/4885DHODH 2441/4885

“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.