SCHEMBL206206

SCHEMBL206206

O=C(O)c1ccc(C2CCCN2C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.56
SIGMAR1 Q99720 5/20 0.56
PREP P48147 3/20 0.47
AADAT Q8N5Z0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4968298 0.97 SIGMAR1 (0.60) TMEM97SIGMAR1PREPAADAT
SCHEMBL205427 0.93 TMEM97 (0.53) TMEM97SIGMAR1PREPAADATALDH1A1
SCHEMBL206142 0.91 TMEM97 (0.52) TMEM97SIGMAR1PREPAADATALDH1A1
SCHEMBL205019 0.88 TMEM97 (0.55) TMEM97SIGMAR1PREPAADATALDH1A1
SCHEMBL8248090 0.88 TMEM97 (0.55) TMEM97SIGMAR1PREPAADATALDH1A1
SCHEMBL8244528 0.85 SIGMAR1 (0.59) TMEM97SIGMAR1PREPAADAT
SCHEMBL4122759 0.83 TMEM97 (0.60) TMEM97SIGMAR1PREPAADATKDM1A
SCHEMBL16980525 0.83 TMEM97 (0.56) TMEM97SIGMAR1PREPAADATALDH1A1
SCHEMBL4968602 0.82 PDE4B (0.55) NPSR1
SCHEMBL204283 0.81 TMEM97 (0.45) TMEM97SIGMAR1PREPAADATALDH1A1

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 TMEM97 4001/4885SIGMAR1 4024/4885PREP 419/4885

“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.