SCHEMBL4820220

SCHEMBL4820220

O=C(Nc1cc2ccc(O)cc2oc1=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.69
ACHE P22303 1/20 0.61
POLB P06746 3/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
MAOB P27338 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51

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
SCHEMBL4818265 0.88 ACHE (0.75) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4819273 0.82 TP53 (1.00) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4817800 0.82 TP53 (0.76) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4820635 0.82 TP53 (0.76) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4821180 0.79 TP53 (0.79) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4819215 0.79 MAPT (0.74) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4818996 0.76 MAOB (0.74) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4821425 0.76 TP53 (0.86) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4816078 0.76 TP53 (1.00) TP53ACHEPOLBNPC1RAB9A
SCHEMBL4819228 0.76 POLB (0.77) TP53ACHEPOLBNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411076-B2 such as 2-chloro-N-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)benzamide, used for intensifying the effects of cancer therapy based on DNA injury; protein kinase inhibitors; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-08-12 US disclosed
US-20050054717-A1 Coumarin derivative INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2005-03-10 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-20050054717-A1 Coumarin derivative ERCC2, ERCC4, DDB1 TP53 81/4885ACHE 4512/4885POLB 290/4885

“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.