SCHEMBL204594

SCHEMBL204594

COC(=O)c1cccc(NC(=O)c2cccc(-c3ccncc3)c2)c1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.51
ROCK2 O75116 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AURKA O14965 1/20 0.48
ITK Q08881 1/20 0.48
SUCNR1 Q9BXA5 1/20 0.47
PLAU P00749 1/20 0.47
HDAC1 Q13547 1/20 0.47
NEK1 Q96PY6 1/20 0.47
MAPK1 P28482 1/20 0.46
HDAC2 Q92769 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL207099 0.89 TSHR (0.52) MEN1KMT2ALMNAPOLBGAA
SCHEMBL204534 0.89 KDM4E (0.55) ROCK2MEN1KMT2ALMNAPOLB
SCHEMBL204144 0.86 HSD17B10 (0.54) MEN1KMT2ALMNAPOLBGAA
SCHEMBL206378 0.85 MEN1 (0.54) MEN1KMT2ALMNAPOLBGAA
SCHEMBL204973 0.83 ABCB1 (0.57) ROCK2MAPTALDH1A1MAPK1KDM4E
SCHEMBL417914 0.82 SERPINE1 (0.64) TTKROCK2MAPTSUCNR1PLAU
SCHEMBL204732 0.81 KDM4E (0.65) KMT2ALMNAPOLBMAPTALDH1A1
SCHEMBL204780 0.81 MKNK1 (0.54) LMNAGAAKDM4E
SCHEMBL505555 0.80 NPC1 (0.61) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL205252 0.80 ALDH1A1 (0.67) MEN1KMT2ALMNAGAAALDH1A1

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 TTK 3936/4885ROCK2 2120/4885MEN1 3535/4885

“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.