SCHEMBL206954

SCHEMBL206954

COC(=O)c1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.57
GAA P10253 1/20 0.56
EPHX2 P34913 2/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
RHOA P61586 1/20 0.53
ALDH1A1 P00352 1/20 0.52
EPHX1 P07099 1/20 0.51
CACNA1B Q00975 1/20 0.50
ADRB2 P07550 1/20 0.49
FASN P49327 1/20 0.48

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
SCHEMBL1364655 0.83 RBP4 (0.62) RBP4EPHX2KMT2AMEN1RHOA
SCHEMBL14258634 0.83 HPGD (0.59) RBP4GAAEPHX2KMT2AMEN1
SCHEMBL207341 0.83 L3MBTL3 (0.62) GAAEPHX2KMT2AMEN1ALDH1A1
SCHEMBL4694344 0.83 HPGD (0.62) RBP4GAAEPHX2KMT2AMEN1
SCHEMBL205620 0.82 ADRB2 (0.55) GAAKMT2AMEN1ALDH1A1ADRB2
SCHEMBL31704907 0.82 RBP4 (0.49) RBP4GAAEPHX2KMT2AMEN1
SCHEMBL205367 0.81 TSHR (0.47) RBP4GAAKMT2AMEN1ALDH1A1
SCHEMBL10666502 0.81 HPGD (0.65) RBP4GAAEPHX2KMT2AMEN1
SCHEMBL13150756 0.81 ADRB2 (0.55) KMT2AMEN1ALDH1A1ADRB2
SCHEMBL206262 0.80 RBP4 (0.52) RBP4GAAEPHX2KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN 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 RBP4 2696/4885GAA 276/4885EPHX2 3133/4885

“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.