SCHEMBL204732

SCHEMBL204732

COC(=O)c1cccc(NC(=O)c2cccnc2)c1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL204534 0.88 KDM4E (0.55) KDM4ETP53MAPTLMNAHDAC1
SCHEMBL22983344 0.88 TP53 (0.77) KDM4ETP53MAPTHPGDLMNA
SCHEMBL204780 0.87 MKNK1 (0.54) KDM4ETP53LMNATSHRSMN1; SMN2
SCHEMBL204144 0.85 HSD17B10 (0.54) KDM4ETP53MAPTHPGDLMNA
SCHEMBL9129050 0.84 TSHR (0.61) KDM4EMAPTHPGDALDH1A1L3MBTL1
SCHEMBL207099 0.81 TSHR (0.52) KDM4ETP53MAPTHPGDLMNA
SCHEMBL204594 0.81 TTK (0.51) KDM4EMAPTLMNAALDH1A1HDAC1
SCHEMBL6542858 0.79 KDM4E (0.60) KDM4ETP53MAPTHPGDLMNA
SCHEMBL205252 0.79 ALDH1A1 (0.67) KDM4ETP53LMNAALDH1A1ALOX15
SCHEMBL206378 0.77 MEN1 (0.54) KDM4EMAPTHPGDLMNAALDH1A1

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 1650/4885TP53 1353/4885MAPT 1527/4885

“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.