SCHEMBL206537

SCHEMBL206537

CON(C)Cc1ccc(-c2nc3cc(F)cc(C(N)=O)c3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.50
ESR1 P03372 4/20 0.50
GRM2 Q14416 3/20 0.49
PARP1 P09874 2/20 0.44
PARP2 Q9UGN5 2/20 0.44
CETP P11597 3/20 0.36
UTRN P46939 4/20 0.35
HTR2B P41595 1/20 0.35
DHODH Q02127 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
SCHEMBL207162 0.90 ESR2 (0.55) ESR2ESR1GRM2CETP
SCHEMBL204368 0.89 ESR2 (0.54) ESR2ESR1GRM2PARP1PARP2
SCHEMBL205426 0.84 DHODH (0.50) ESR2ESR1GRM2PARP1PARP2
SCHEMBL207416 0.82 PARP1 (0.53) ESR2ESR1PARP1PARP2CETP
SCHEMBL205888 0.81 ESR2 (0.57) ESR2ESR1PARP1PARP2CETP
SCHEMBL205131 0.81 PARP1 (0.67) ESR2ESR1PARP1PARP2CETP
SCHEMBL207330 0.76 CETP (0.54) ESR2ESR1CETPDHODH
SCHEMBL205470 0.74 ESR2 (0.60) ESR2ESR1CETP
SCHEMBL206041 0.74 ESR2 (0.58) ESR2ESR1PARP1PARP2CETP
SCHEMBL205527 0.73 ESR2 (0.57) ESR2ESR1PARP1PARP2CETP

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 claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
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 ESR2 1492/4885ESR1 2161/4885GRM2 3896/4885

“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.