SCHEMBL4432447

SCHEMBL4432447

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCc4ccccn4)CC3)C=CO2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KMT2A Q03164 5/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL4431639 0.93 RAB9A (0.39) NPC1SMN1; SMN2RAB9APOLBHRH2
SCHEMBL4440061 0.89 MAPK1 (0.36) PIK3CALMNASMN1; SMN2POLBMAPT
SCHEMBL4880934 0.89 UTS2R (0.38) ALDH1A1KMT2AMEN1POLB
SCHEMBL4429197 0.87 HPGD (0.39) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL4434641 0.87 USP2 (0.39) PIK3CAALDH1A1HPGDLMNAHTT
SCHEMBL4438087 0.86 UTS2R (0.43)
SCHEMBL4440078 0.86 UTS2R (0.36)
SCHEMBL4890309 0.86 BCL3 (0.35) KMT2AMEN1
SCHEMBL4891155 0.85 UTS2R (0.36) KMT2AMEN1
SCHEMBL4885280 0.85 STAT3 (0.37) ALDH1A1HPGDKMT2AMEN1KDM4E

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 6 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
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP 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 PIK3CA 3042/4885ALDH1A1 4139/4885HPGD 1252/4885

“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.