SCHEMBL4434641

SCHEMBL4434641

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCc4cccnc4)CC3)C=CO2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.39
MAPK10 P53779 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CA P42336 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
FPR1 P21462 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4440061 0.92 MAPK1 (0.36) USP2TSHRPIK3CASMN1; SMN2LMNA
SCHEMBL4880934 0.92 UTS2R (0.38) KMT2AALDH1A1MEN1
SCHEMBL4432447 0.87 PIK3CA (0.37) HPGDHTTKMT2AALDH1A1KDM4E
SCHEMBL4888759 0.86 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4432781 0.86 NPFFR1 (0.36) USP2HPGDHTTKMT2AALDH1A1
SCHEMBL4438087 0.85 UTS2R (0.43)
SCHEMBL15808512 0.85 EPHX2 (0.37) TSHRHPGDHTTALDH1A1HSD17B10
SCHEMBL4429197 0.85 HPGD (0.39) TSHRHPGDHTTKMT2AALDH1A1
SCHEMBL4890309 0.84 BCL3 (0.35) KMT2AMEN1
SCHEMBL4440078 0.84 UTS2R (0.36)

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 USP2 481/4885TSHR 527/4885MAPK10 4612/4885

“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.