SCHEMBL13802452

SCHEMBL13802452

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.78
AKR1C1 Q04828 2/20 0.78
AKR1C4 P17516 1/20 0.78
AKR1C3 P42330 1/20 0.78
KCNK2 O95069 1/20 0.60
KCNK10 P57789 1/20 0.60
ALB P02768 1/20 0.58
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
PYGL P06737 1/20 0.58
PABPC1 P11940 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
EIF4H Q15056 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 5/20 0.54
CTSV O60911 1/20 0.54

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
SCHEMBL6349484 0.85 AKR1C4 (0.78) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL13802477 0.85 AKR1C4 (0.78) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL15668446 0.81 KMT2A (0.65) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL28589612 0.81 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7752904 0.81 AKR1C4 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL2024935 0.81 MEN1 (0.71) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6352508 0.81 AKR1C2 (0.70) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6811868 0.80 MAPT (0.64) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL4092971 0.80 KMT2A (0.71) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6350830 0.80 AKR1C2 (0.76) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C2 653/4885AKR1C1 938/4885AKR1C4 1211/4885

“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.