SCHEMBL13802456

SCHEMBL13802456

O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
POLB P06746 2/20 0.68
MITF O75030 1/20 0.68
ALOX5 P09917 1/20 0.67
GPR17 Q13304 2/20 0.66
P2RY2 P41231 1/20 0.66
THRA P10827 1/20 0.61
MAPT P10636 4/20 0.61
BLM P54132 1/20 0.61
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
FFAR1 O14842 1/20 0.60
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL13802453 0.87 MEN1 (0.81) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7378302 0.86 ALOX5 (0.80) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL10944138 0.84 ALOX5 (0.82) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3674558 0.83 KCNK3 (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1883258 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12639153 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22251590 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3817483 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL16441804 0.83 ALOX5 (0.63) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12834030 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AALOX5

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 2408/4885NPC1 43/4885

“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.