SCHEMBL204172

SCHEMBL204172

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 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 0.93 HCRTR1 (0.41) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL206188 0.90 HCRTR1 (0.40) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL203473 0.86 PARP1 (0.45) PARP1HCRTR1HCRTR2
SCHEMBL3400883 0.82 PARP1 (0.40) PARP1HCRTR1HCRTR2ESR1MAPT
SCHEMBL204347 0.81 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL631604 0.77 PARP1 (0.64) PARP1HCRTR1HCRTR2
SCHEMBL630408 0.77 PARP1 (0.64) PARP1HCRTR1HCRTR2
SCHEMBL630222 0.74 PARP1 (0.62) PARP1
SCHEMBL206528 0.74 SMN1; SMN2 (0.53) JAK2JAK1KMT2A
SCHEMBL14665986 0.74 FAAH (0.44) KMT2A

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 PARP1 1/4885HCRTR1 2614/4885HCRTR2 3083/4885

“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.