SCHEMBL4884906

SCHEMBL4884906

O=C1C=CC=C(C2=CN(CCN3CCC(c4ccccc4C(=O)NCCc4cccs4)CC3)C=CO2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HRH2 P25021 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SHMT2 P34897 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
SCHEMBL4429197 0.93 HPGD (0.39) RAB9ASMN1; SMN2KMT2AMEN1TAAR1
SCHEMBL4432781 0.90 NPFFR1 (0.36) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4891155 0.89 UTS2R (0.36) KMT2AMEN1OPRD1UTS2R
SCHEMBL4888759 0.88 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1UTS2RTSHR
SCHEMBL4440078 0.88 UTS2R (0.36) UTS2R
SCHEMBL4890309 0.88 BCL3 (0.35) KMT2AMEN1UTS2R
SCHEMBL4885280 0.87 STAT3 (0.37) KMT2AMEN1ALDH1A1UTS2RKDM4E
SCHEMBL4433580 0.87 HDAC3 (0.36) KMT2AMEN1ALDH1A1UTS2RTSHR
SCHEMBL4432573 0.87 TNKS (0.38) UTS2RLMNAMAPT
SCHEMBL4888481 0.87 CCR3 (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1

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
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US 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
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US 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 ADAM17 706/4885NPC1 1911/4885RAB9A 3083/4885

“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.