SCHEMBL204126

SCHEMBL204126

O=C(Nc1c(O)cccc1C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.62
AKR1C3 P42330 1/20 0.62
AKR1C2 P52895 1/20 0.62
AKR1C1 Q04828 1/20 0.62
PTPN11 Q06124 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 1/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
PABPC1 P11940 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
EIF4H Q15056 1/20 0.55

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
SCHEMBL204990 0.87 NPC1 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1PTPN11
SCHEMBL4092971 0.82 KMT2A (0.71) AKR1C4AKR1C3AKR1C2AKR1C1NPC1
SCHEMBL30319262 0.80 PTPN11 (0.73) AKR1C4AKR1C3AKR1C2AKR1C1PTPN11
SCHEMBL34468094 0.79 NPC1 (0.80) PTPN11NPC1RAB9AKMT2AMEN1
SCHEMBL18640725 0.78 RAB9A (0.61) AKR1C4AKR1C3AKR1C2AKR1C1NPC1
SCHEMBL18640726 0.78 RAB9A (0.61) AKR1C4AKR1C3AKR1C2AKR1C1NPC1
SCHEMBL299879 0.76 KMT2A (0.88) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL30868371 0.76 KMT2A (0.88) NPC1RAB9AKMT2AMEN1ALDH1A1
Dinitrophenylene SCHEMBL27633736 0.76 ALDH1A1 (0.60) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14111898 0.76 PTPN11 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1PTPN11

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 AKR1C4 827/4885AKR1C3 408/4885AKR1C2 772/4885

“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.