SCHEMBL205260

SCHEMBL205260

COC(=O)c1cccc(N(O)C(=O)c2ccc(C3CCCN3C(=O)O)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
ROCK2 O75116 2/20 0.41
RIPK1 Q13546 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
GYS1 P13807 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL204284 0.88 TMEM97 (0.45) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL4965759 0.78 RIPK1 (0.43) HTTRIPK1ALDH1A1MEN1KMT2A
SCHEMBL5533451 0.76 PARP14 (0.42) HTTRIPK1HSP90AA1HSP90AB1OPRM1
SCHEMBL205259 0.74 RIPK1 (0.41) HTTRIPK1ALDH1A1MEN1KMT2A
SCHEMBL17142319 0.72 RIPK1 (0.52) ROCK2RIPK1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL4968612 0.70 CFB (0.47) RIPK1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL4968626 0.70 CFB (0.47) RIPK1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL5529036 0.70 RIPK1 (0.48) RIPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4967238 0.70 RIPK1 (0.48) RIPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4967606 0.70 RIPK1 (0.48) RIPK1ALDH1A1MEN1KMT2ASMN1; SMN2

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 HTT 1453/4885ROCK2 2120/4885RIPK1 728/4885

“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.