SCHEMBL204990

SCHEMBL204990

O=C(Nc1c(O)cccc1C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
PTPN11 Q06124 3/20 0.60
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
PLK1 P53350 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 2/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
ERO1A Q96HE7 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
CD40 P25942 1/20 0.49
CD40LG P29965 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL204126 0.87 AKR1C4 (0.62) NPC1PTPN11AKR1C4AKR1C3AKR1C2
SCHEMBL7028470 0.86 NPC1 (0.56) NPC1PTPN11MEN1KMT2APOLB
SCHEMBL3712805 0.80 PTPN11 (0.66) NPC1PTPN11AKR1C4AKR1C3AKR1C2
SCHEMBL8372144 0.80 NPC1 (0.50) NPC1PTPN11MEN1KMT2APOLB
SCHEMBL30319262 0.79 PTPN11 (0.73) PTPN11AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1309081 0.79 SMN1; SMN2 (0.70) NPC1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL205170 0.77 PTPN11 (0.62) PTPN11PLK1POLBSMN1; SMN2TDP1
4-Nitrobenzoic Acid SCHEMBL8742978 0.77 TDP1 (0.68) NPC1MEN1KMT2APOLBRAB9A
Salicylic Acid SCHEMBL27624714 0.76 ALDH1A1 (0.67) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL30473065 0.76 KMT2A (0.64) NPC1AKR1C3AKR1C2MEN1KMT2A

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 NPC1 2716/4885PTPN11 4647/4885AKR1C4 827/4885

“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.