SCHEMBL4632689

SCHEMBL4632689

Nc1cccc(S(=O)(=O)CCN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.53
PRMT6 Q96LA8 2/20 0.53
PRMT3 O60678 1/20 0.53
PRMT1 Q99873 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR3 P51677 3/20 0.51
SIGMAR1 Q99720 1/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL4632909 0.82 MEN1 (0.65) MEN1KMT2ASIGMAR1SLC6A2SLC6A4
SCHEMBL5505080 0.80 GRIN2B (0.59) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL25758336 0.79 MEN1 (0.62) CARM1PRMT6PRMT3PRMT1PRMT8
Hydrochloric Acid SCHEMBL5974096 0.79 GRIN2B (0.58) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL13091569 0.79 MEN1 (0.49) MEN1KMT2ASIGMAR1LMNACA1
SCHEMBL8248176 0.79 CCR3 (0.63) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL13408045 0.76 MEN1 (0.69) MEN1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL7395591 0.75 CCR3 (0.55) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL4832269 0.74 GRIN2B (0.60) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL7397402 0.74 TMEM97 (0.76) CARM1PRMT6PRMT3PRMT1PRMT8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603884-A4 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-28 EP disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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 (3 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CARM1 4876/4885PRMT6 4622/4885PRMT3 4277/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CARM1 4876/4885PRMT6 4622/4885PRMT3 4277/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CARM1 4876/4885PRMT6 4622/4885PRMT3 4277/4885

“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.