SCHEMBL4433580

SCHEMBL4433580

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
CCR2 P41597 2/20 0.34
BCL3 P20749 1/20 0.34
POLB P06746 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL4890241 0.92 HPGD (0.37) HDAC3HDAC1UTS2RADRA1DADRA1A
SCHEMBL15808512 0.92 EPHX2 (0.37) ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4890309 0.91 BCL3 (0.35) HDAC3HDAC1UTS2RBCL3KMT2A
SCHEMBL4440078 0.91 UTS2R (0.36) HDAC3HDAC1UTS2RBCL3
SCHEMBL4432414 0.91 ASAH1 (0.39) HDAC3HDAC1CCR2POLBHPGD
SCHEMBL4891155 0.91 UTS2R (0.36) HDAC3HDAC1UTS2RBCL3ADRA1D
SCHEMBL4885280 0.91 STAT3 (0.37) HDAC3HDAC1UTS2RBCL3POLB
SCHEMBL4430165 0.90 HPGD (0.39) HDAC3HDAC1UTS2RPOLBKDM4E
SCHEMBL4430408 0.90 UTS2R (0.37) HDAC3HDAC1UTS2RBCL3POLB
SCHEMBL4432781 0.90 NPFFR1 (0.36) UTS2RPOLBKDM4EALDH1A1HPGD

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 4 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

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 HDAC3 4162/4885HDAC1 4373/4885UTS2R 1/4885

“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.