SCHEMBL5343044

SCHEMBL5343044

Nc1ccc(Oc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
TDP1 Q9NUW8 3/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
PKM P14618 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL8883294 0.83 MAPT (0.59) MAPTTDP1LMNAPOLBPKM
SCHEMBL22456073 0.79 MAPT (0.67) MAPTTDP1LMNAPOLBPKM
SCHEMBL5341510 0.79 CYP2C19 (0.62) MAPTTDP1LMNAPOLBPKM
SCHEMBL8564086 0.79 MAPT (0.61) MAPTTDP1LMNAPOLBPKM
SCHEMBL16044320 0.79 MAPT (0.61) MAPTTDP1LMNAPOLBPKM
SCHEMBL22455941 0.78 MAPT (0.61) MAPTTDP1LMNAPOLBPKM
SCHEMBL4240340 0.76 MAPT (0.58) MAPTTDP1LMNAPOLBPKM
SCHEMBL737318 0.76 MEN1 (0.62) MAPTTDP1LMNAPOLBPKM
SCHEMBL5345296 0.76 ALDH1A1 (0.51) MAPTTDP1LMNAPOLBPKM
SCHEMBL11921361 0.74 MAPT (0.51) MAPTTDP1LMNAPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 MAPT 2991/4885TDP1 2042/4885LMNA 2801/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MAPT 2991/4885TDP1 2042/4885LMNA 2801/4885

“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.