SCHEMBL205252

SCHEMBL205252

COC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 1/20 0.67
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR17 Q13304 1/20 0.54
LMNA P02545 1/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
KCNH2 Q12809 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL13539355 0.86 KMT2A (0.68) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL9129050 0.86 TSHR (0.61) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL1937228 0.82 GAA (0.62) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5834186 0.81 KMT2A (0.63) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL204594 0.80 TTK (0.51) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL204144 0.80 HSD17B10 (0.54) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL206378 0.79 MEN1 (0.54) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL204732 0.79 KDM4E (0.65) ALDH1A1KDM4EKMT2AHSD17B10ALOX15
SCHEMBL204534 0.78 KDM4E (0.55) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL505555 0.78 NPC1 (0.61) ALDH1A1KDM4EKMT2AMEN1HSD17B10

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 ALDH1A1 398/4885KDM4E 1650/4885GAA 276/4885

“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.