SCHEMBL4462435

SCHEMBL4462435

COc1c(C(=O)N2CCOCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.48

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
SCHEMBL521638 0.86 HRH4 (0.53) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL2378215 0.86 KMT2A (0.75) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL16982448 0.84 ALDH1A1 (0.56) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL7459206 0.83 SMN1; SMN2 (0.55) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL12260740 0.82 KMT2A (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL4893361 0.82 KMT2A (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL4115804 0.81 PKM (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL17749697 0.81 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL30073534 0.81 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EGAA
SCHEMBL13883807 0.80 ALDH1A1 (0.66) KMT2ASMN1; SMN2KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP 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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R KMT2A 1019/4885L3MBTL1 2581/4885SMN1; SMN2 4352/4885

“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.