SCHEMBL3596655

SCHEMBL3596655

COCOc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5005582 0.85 MAPT (0.63) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL1289600 0.84 ALDH1A1 (0.49) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7717015 0.83 MAPT (0.51) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL1589463 0.83 MAPT (0.50) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8631234 0.82 MAPT (0.57) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL6565692 0.82 MAPT (0.65) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL26853141 0.82 PTGS2 (0.52) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL5030826 0.79 NPC1 (0.47) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL16162779 0.79 MAPT (0.47) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL23801874 0.79 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 MAPT 4707/4885ALDH1A1 1763/4885LMNA 4612/4885

“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.