SCHEMBL13802446

SCHEMBL13802446

O=C(O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.83
ALDH1A1 P00352 4/20 0.83
GAA P10253 3/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
KDM4E B2RXH2 2/20 0.83
NPSR1 Q6W5P4 2/20 0.77
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPC1 O15118 2/20 0.60
TRPA1 O75762 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
CDK2 P24941 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL4212246 0.86 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4201585 0.84 MAPT (0.85) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4217682 0.80 MAPT (0.77) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4218996 0.80 MAPT (0.77) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4208063 0.80 MAPT (0.77) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4211514 0.80 MAPT (0.85) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4207992 0.78 MAPT (0.74) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4216370 0.78 MAPT (0.79) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL13802443 0.78 MAPT (0.74) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4209793 0.78 MAPT (0.74) MAPTALDH1A1GAASMN1; SMN2KDM4E

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 MAPT 6/4885ALDH1A1 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.