SCHEMBL205170

SCHEMBL205170

O=C(Nc1c(O)cccc1C(=O)O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.62
TYK2 P29597 2/20 0.56
PLK1 P53350 1/20 0.56
HTT P42858 1/20 0.53
KCNK3 O14649 1/20 0.51
KDM4E B2RXH2 4/20 0.49
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KCNMA1 Q12791 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL206315 0.84 PTPN11 (0.58) PTPN11PLK1HTTKCNK3KDM4E
SCHEMBL30319262 0.84 PTPN11 (0.73) PTPN11PLK1KDM4EALDH1A1MAPT
SCHEMBL3712805 0.82 PTPN11 (0.66) PTPN11PLK1KDM4EMAPTTDP1
SCHEMBL5117801 0.79 POLB (0.57) TYK2HTTKCNK3KDM4EKDM4D
SCHEMBL29666713 0.78 PTPN11 (0.64) PTPN11PLK1KDM4EMAPTKCNMA1
SCHEMBL204990 0.77 NPC1 (0.60) PTPN11PLK1KDM4ETDP1POLB
SCHEMBL30195450 0.77 PTPN11 (0.58) PTPN11PLK1HTTKDM4EALDH1A1
SCHEMBL14111898 0.77 PTPN11 (1.00) PTPN11PLK1KDM4EALDH1A1MAPT
SCHEMBL18906045 0.76 POLB (0.70) TYK2HTTKDM4DKDM4CJAK2
SCHEMBL6631977 0.75 PTPN11 (0.87) PTPN11PLK1KDM4E

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 PTPN11 4647/4885TYK2 1130/4885PLK1 670/4885

“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.