SCHEMBL5230352

SCHEMBL5230352

O=C(Nc1cccnc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 5/20 0.62
POLB P06746 4/20 0.62
BLM P54132 1/20 0.62
RAB9A P51151 6/20 0.59
KDR P35968 2/20 0.59
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 4/20 0.55
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SNCA P37840 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL6795867 0.84 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
Iodide SCHEMBL30758621 0.83 MEN1 (0.83) MEN1KMT2AMAPTPOLBBLM
SCHEMBL5240286 0.83 KDR (0.58) POLBKDR
SCHEMBL9329754 0.79 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL6396333 0.78 LMNA (0.79) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.78 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.78 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.78 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL5231779 0.77 NAMPT (0.74) RAB9ANPC1LMNAHIF1A
SCHEMBL7977748 0.77 MEN1 (0.50) MEN1KMT2AMAPTPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US claimed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN claimed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO claimed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 MEN1 3429/4885KMT2A 3308/4885MAPT 802/4885

“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.