SCHEMBL13802453

SCHEMBL13802453

O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.81
KMT2A Q03164 9/20 0.81
MAPT P10636 4/20 0.81
POLB P06746 2/20 0.81
BLM P54132 1/20 0.81
ALOX5 P09917 1/20 0.73
GPR17 Q13304 2/20 0.69
P2RX1 P51575 1/20 0.67
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
P2RY2 P41231 1/20 0.65
NPC1 O15118 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 2/20 0.62

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
SCHEMBL10944138 0.94 ALOX5 (0.82) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16431080 0.90 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.90 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.90 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.90 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13802456 0.87 MEN1 (0.71) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1336235 0.87 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL6795867 0.85 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9329754 0.85 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13698359 0.85 MEN1 (0.91) MEN1KMT2AMAPTPOLBBLM

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 MEN1 694/4885KMT2A 2408/4885MAPT 6/4885

“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.