SCHEMBL13802447

SCHEMBL13802447

O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.72
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
STAT3 P40763 1/20 0.57
KCNMA1 Q12791 3/20 0.56
HCAR3 P49019 1/20 0.56
HTT P42858 2/20 0.55
ATM Q13315 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 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
SCHEMBL6962318 0.89 PHGDH (0.58) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL10334186 0.85 KCNMA1 (0.66) PHGDHALDH1A1SMN1; SMN2MAPTSTAT3
SCHEMBL641989 0.84 PHGDH (0.77) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL14007286 0.83 KCNMA1 (0.71) MAPTKCNMA1HTTNPC1RAB9A
SCHEMBL8025450 0.83 MEN1 (0.70) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL7453746 0.82 ALDH1A1 (0.74) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL5221278 0.80 ALDH1A1 (0.59) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL641132 0.80 PHGDH (0.67) PHGDHALDH1A1LMNAPOLBKCNMA1
SCHEMBL11627129 0.79 PHGDH (0.66) PHGDHALDH1A1GAALMNAHPGD
SCHEMBL16431342 0.79 LMNA (0.51) ALDH1A1LMNASMN1; SMN2POLBMAPT

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 PHGDH 2862/4885ALDH1A1 2808/4885GAA 133/4885

“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.