SCHEMBL206309

SCHEMBL206309

COC(=O)c1cccc(NC(=O)C2CCCN(C(=O)OCc3ccccc3)C2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 4/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
PARP1 P09874 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
HSD11B1 P28845 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
SCHEMBL206214 0.91 KDM4E (0.49) HSD17B10KDM4EALDH1A1HPGDNPSR1
SCHEMBL206204 0.89 SMN1; SMN2 (0.62) HSD17B10KDM4EALDH1A1HPGDNPSR1
SCHEMBL206380 0.83 TSHR (0.66) HSD17B10KDM4EALDH1A1NPSR1TSHR
SCHEMBL3396366 0.83 HSD17B10 (0.56) HSD17B10KDM4EALDH1A1HPGDNPSR1
SCHEMBL3443753 0.80 PARP1 (0.62) HSD17B10KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL13106468 0.80 PARP1 (0.62) HSD17B10KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL3443750 0.80 PARP1 (0.62) HSD17B10KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL14313090 0.80 HTT (0.59) ALDH1A1HPGDSMN1; SMN2HTTGAA
SCHEMBL5077234 0.80 HTT (0.59) ALDH1A1HPGDSMN1; SMN2HTTGAA
SCHEMBL5115243 0.80 HTT (0.59) ALDH1A1HPGDSMN1; SMN2HTTGAA

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 HSD17B10 1316/4885KDM4E 1650/4885ALDH1A1 398/4885

“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.