SCHEMBL13802477

SCHEMBL13802477

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 2/20 0.78
AKR1C3 P42330 2/20 0.78
AKR1C2 P52895 2/20 0.78
AKR1C1 Q04828 2/20 0.78
SERPINE1 P05121 3/20 0.59
LMNA P02545 2/20 0.59
ALB P02768 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
WDR5 P61964 1/20 0.58
KCNK2 O95069 1/20 0.57
KCNK10 P57789 1/20 0.57
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 1/20 0.55
RAB9A P51151 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
SCHEMBL12834030 0.86 MEN1 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL13802452 0.85 AKR1C2 (0.78) AKR1C4AKR1C3AKR1C2AKR1C1ALB
SCHEMBL6349484 0.85 AKR1C4 (0.78) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL28586381 0.85 KMT2A (0.66) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL28595259 0.84 RAB9A (0.67) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL28581602 0.84 WDR5 (0.62) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL399870 0.84 MEN1 (0.68) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL16431064 0.82 KMT2A (0.68) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL16496264 0.82 SERPINE1 (0.76) AKR1C4AKR1C3AKR1C2AKR1C1SERPINE1
SCHEMBL28588057 0.81 MEN1 (0.69) LMNAMEN1KMT2AWDR5MAPT

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 AKR1C4 1211/4885AKR1C3 570/4885AKR1C2 653/4885

“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.