SCHEMBL4510231

SCHEMBL4510231

CN1C(=O)OC[C@@H]1Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
MEN1 O00255 8/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
ALOX12 P18054 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PABPC1 P11940 1/20 0.38
HSPB1 P04792 2/20 0.37
PKM P14618 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL4503291 0.92 KMT2A (0.45) KMT2AMEN1RAB9ANPC1ALOX12
SCHEMBL5338964 0.92 KMT2A (0.45) KMT2AMEN1RAB9ANPC1ALOX12
SCHEMBL4507577 0.90 RAB9A (0.52) KMT2AMEN1RAB9ANPC1ALOX12
SCHEMBL4238041 0.89 RAB9A (0.42) KMT2AMEN1RAB9ANPC1ALOX12
SCHEMBL4499595 0.86 KDR (0.38) HRH3
SCHEMBL4516481 0.84 MET (0.39) P2RX3
SCHEMBL5339765 0.84 MET (0.39) P2RX3
SCHEMBL4238022 0.84 KMT2A (0.41) KMT2AMEN1RAB9ANPC1ALOX12
SCHEMBL5333924 0.82 HSPB1 (0.37) KMT2ARAB9ANPC1MAPTALDH1A1
SCHEMBL4497632 0.82 HSPB1 (0.37) KMT2ARAB9ANPC1MAPTALDH1A1

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 KMT2A 3422/4885MEN1 1665/4885RAB9A 989/4885

“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.