SCHEMBL4497632

SCHEMBL4497632

CN(c1ccc(Oc2ccc(C[C@H]3COC(=O)N3C)cc2)c(F)c1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.37
TDP2 O95551 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL5333924 1.00 HSPB1 (0.37) HSPB1TDP2HTR1DHTR1BPKM
SCHEMBL5333522 0.92 HSPB1 (0.36) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL4512372 0.92 HSPB1 (0.36) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL4502235 0.91 HSPB1 (0.36) HSPB1TDP2HTR1DHTR1BATM
SCHEMBL4517058 0.90 PKM (0.36) HSPB1HTR1DHTR1BPKMATM
SCHEMBL5337499 0.90 PKM (0.36) HSPB1HTR1DHTR1BPKMATM
SCHEMBL4232416 0.90 HSPB1 (0.36) HSPB1TDP2PKMATMGAA
SCHEMBL5329788 0.86 HTR1D (0.35) HTR1DHTR1B
SCHEMBL4524286 0.86 HTR1D (0.35) HTR1DHTR1B
SCHEMBL4229234 0.84 HSPB1 (0.35) HSPB1TDP2PKMGAAL3MBTL1

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 6 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
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO 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
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 HSPB1 4828/4885TDP2 3419/4885HTR1D 562/4885

“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.