SCHEMBL4463280

SCHEMBL4463280

O=C(Nc1ccc(CN2CCOCC2)nc1)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SRD5A2 P31213 1/20 0.51
MAPT P10636 4/20 0.49
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
DGAT1 O75907 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
FLT3 P36888 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL4480562 0.89 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL4466303 0.88 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4470073 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4468980 0.83 KDM4E (0.51) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL5532621 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4461598 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4466439 0.81 SMN1; SMN2 (0.58) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4471654 0.80 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL4476752 0.79 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
Trifluoroacetic Acid SCHEMBL4466676 0.77 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDCYP1A2

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 7 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-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
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
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 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 ALDH1A1 1060/4885KDM4E 2454/4885HSD17B10 370/4885

“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.