SCHEMBL13802485

SCHEMBL13802485

O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.59
KCNK2 O95069 2/20 0.58
KCNK10 P57789 2/20 0.58
DNM2 P50570 1/20 0.58
ERO1A Q96HE7 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
PKM P14618 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PHGDH O43175 1/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
HPGD P15428 1/20 0.52
AURKA O14965 1/20 0.51
NPC1 O15118 1/20 0.51
PDPK1 O15530 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
SCHEMBL2031092 0.93 KCNK2 (0.64) SERPINE1KCNK2KCNK10ERO1AKMT2A
SCHEMBL13802484 0.87 HTT (0.74) SERPINE1KCNK2KCNK10ERO1AKMT2A
SCHEMBL15668406 0.85 MAPT (0.66) KMT2AMEN1PKMHTTSMN1; SMN2
SCHEMBL2024935 0.84 MEN1 (0.71) ERO1AKMT2AMEN1PKMAKR1C4
SCHEMBL1308714 0.83 MEN1 (0.76) SERPINE1KCNK2KCNK10KMT2AMEN1
SCHEMBL2269733 0.82 ACLY (0.59) SERPINE1KCNK2KCNK10DNM2ERO1A
SCHEMBL13802483 0.82 WDR5 (0.60) SERPINE1KCNK2KCNK10ERO1AKMT2A
SCHEMBL7787033 0.81 KMT2A (0.72) KCNK2KCNK10DNM2ERO1AKMT2A
SCHEMBL10981544 0.79 MAPT (0.69) KMT2AMEN1HTTSMN1; SMN2HPGD
SCHEMBL6716445 0.79 ALDH1A1 (0.60) KMT2AMEN1PKMNPSR1HTT

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 SERPINE1 1045/4885KCNK2 2183/4885KCNK10 2814/4885

“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.