SCHEMBL204534

SCHEMBL204534

COC(=O)c1cccc(NC(=O)c2cccc(-c3cccnc3)c2)c1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ABCB1 P08183 6/20 0.51
NR4A2 P43354 2/20 0.51
ROCK2 O75116 1/20 0.50
NEK1 Q96PY6 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TP53 P04637 1/20 0.49
KMO O15229 1/20 0.49
ABCC1 P33527 1/20 0.48
LMNA P02545 2/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL204780 0.90 MKNK1 (0.54) KDM4EABCB1NR4A2CYP19A1CYP11B1
SCHEMBL204594 0.89 TTK (0.51) KDM4EROCK2NEK1LMNAHDAC1
SCHEMBL204732 0.88 KDM4E (0.65) KDM4ETP53LMNAHDAC1MAPT
SCHEMBL206378 0.83 MEN1 (0.54) KDM4ELMNAMAPTMEN1POLB
SCHEMBL12369423 0.80 ABCB1 (0.64) KDM4EABCB1NR4A2CYP19A1CYP11B1
SCHEMBL204144 0.80 HSD17B10 (0.54) KDM4ETP53LMNAMAPTMEN1
SCHEMBL1399775 0.79 CYP19A1 (0.74) KDM4ENR4A2NEK1CYP19A1CYP11B1
SCHEMBL205252 0.78 ALDH1A1 (0.67) KDM4ETP53LMNAMEN1GAA
SCHEMBL9129050 0.78 TSHR (0.61) KDM4EMAPTMEN1POLBGAA
SCHEMBL207099 0.78 TSHR (0.52) KDM4ETP53LMNAHDAC1MAPT

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 KDM4E 1650/4885ABCB1 521/4885NR4A2 2770/4885

“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.