SCHEMBL204368

SCHEMBL204368

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.54
ESR1 P03372 3/20 0.54
PARP1 P09874 7/20 0.50
PARP2 Q9UGN5 4/20 0.50
PARP3 Q9Y6F1 1/20 0.38
DHODH Q02127 1/20 0.38
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
GRM2 Q14416 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL206537 0.89 ESR2 (0.50) ESR2ESR1PARP1PARP2DHODH
SCHEMBL205888 0.87 ESR2 (0.57) ESR2ESR1PARP1PARP2TP53
SCHEMBL205131 0.84 PARP1 (0.67) ESR2ESR1PARP1PARP2TP53
SCHEMBL206779 0.83 DHODH (0.54) ESR2ESR1PARP1PARP2PARP3
SCHEMBL207416 0.82 PARP1 (0.53) ESR2ESR1PARP1PARP2TP53
SCHEMBL16287567 0.81 PARP1 (0.73) ESR2ESR1PARP1PARP2
Hydrochloric Acid SCHEMBL16287622 0.81 PARP1 (0.73) ESR2ESR1PARP1PARP2
SCHEMBL207162 0.79 ESR2 (0.55) ESR2ESR1GRM2TP53MAPT
SCHEMBL16286724 0.75 PARP1 (0.47) PARP1PARP2CHUKINSRMAPK8
SCHEMBL205516 0.74 PARP1 (0.54) ESR2ESR1PARP1PARP2PARP3

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
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 2161/4885PARP1 1/4885

“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.