SCHEMBL4430356

SCHEMBL4430356

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCNC(=O)Nc4cccc5ccccc45)CC3)C=CO2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
EPHX1 P07099 1/20 0.35
CNR2 P34972 1/20 0.34
MAPK14 Q16539 3/20 0.34
SHMT2 P34897 2/20 0.34
BCL3 P20749 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
DRD4 P21917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4881743 0.88 CXCR3 (0.37) EPHX1DRD4
SCHEMBL4891155 0.86 UTS2R (0.36) BCL3HDAC3HDAC1MEN1KMT2A
SCHEMBL4440078 0.85 UTS2R (0.36) BCL3HDAC3HDAC1DRD2DRD3
SCHEMBL4890309 0.85 BCL3 (0.35) BCL3HDAC3HDAC1MEN1KMT2A
SCHEMBL4885280 0.85 STAT3 (0.37) KDM4EBCL3HDAC3HDAC1MEN1
SCHEMBL4433580 0.85 HDAC3 (0.36) KDM4EHSD17B10BCL3HDAC3HDAC1
SCHEMBL4430196 0.85 DRD4 (0.36) DRD4
SCHEMBL4430408 0.84 UTS2R (0.37) KDM4EHSD17B10BCL3HDAC3HDAC1
SCHEMBL4432781 0.84 NPFFR1 (0.36) KDM4EHSD17B10HTTDRD4MEN1
SCHEMBL4880934 0.84 UTS2R (0.38) CNR2MEN1KMT2A

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-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO claimed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 KDM4E 4604/4885HSD17B10 3597/4885HTT 702/4885

“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.