SCHEMBL4501784

SCHEMBL4501784

CCN(c1ccc(Oc2ccc(C[C@H]3COC(=O)N3CC)cc2)c(F)c1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
MET P08581 2/20 0.30
LTA4H P09960 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL5333269 1.00 ALDH1A1 (0.33) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL4516293 0.93 ALDH1A1 (0.33) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL4520572 0.92 ALDH1A1 (0.32) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL5332762 0.92 ALDH1A1 (0.32) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL4513365 0.90 NPC1 (0.34) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL13763493 0.87 CTSL (0.35) CTSL
SCHEMBL4506610 0.86 PPARG (0.34)
SCHEMBL5334219 0.86 PPARG (0.34)
SCHEMBL4510272 0.84 HTR1D (0.33) ALDH1A1MAPTNPC1MEN1RAB9A
SCHEMBL5316848 0.84 HTR1D (0.33) ALDH1A1MAPTNPC1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US claimed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO 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-20090203744-A1 NOVEL PYRIDINE DERIVATIVES CYP3A4, CYP4B1, CYP3A5 ALDH1A1 226/4885MAPT 1894/4885NPC1 2112/4885

“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.