SCHEMBL4507577

SCHEMBL4507577

CN1C(=O)OC[C@@H]1Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 9/20 0.45
MEN1 O00255 8/20 0.45
ALOX12 P18054 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
POLB P06746 1/20 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
SCHEMBL5336561 0.90 RAB9A (0.51) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4506024 0.90 RAB9A (0.51) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4510231 0.90 KMT2A (0.43) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4236831 0.88 RAB9A (0.50) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4229277 0.84 PTGS2 (0.43) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL13757293 0.84 PTGS2 (0.43) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL5345077 0.83 RAB9A (0.51) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4523713 0.83 LIPE (0.44) HRH3CHRNB4CHRNA3
SCHEMBL4517058 0.81 PKM (0.36) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5337499 0.81 PKM (0.36) RAB9ANPC1MAPTKMT2AMEN1

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
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
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 RAB9A 989/4885NPC1 2112/4885MAPT 1894/4885

“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.