SCHEMBL4631998

SCHEMBL4631998

O/N=C/C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
DPP4 P27487 2/20 0.36
TSHR P16473 2/20 0.36
F2 P00734 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 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
SCHEMBL4632000 1.00 NPSR1 (0.42) NPSR1L3MBTL1LMNAMAPK1GAA
SCHEMBL7097881 0.84 KMT2A (0.40) NPSR1L3MBTL1LMNAALDH1A1
Tetrahydrofuran SCHEMBL27449410 0.84 KCNA5 (0.35) NPSR1L3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL11215459 0.79 SLC6A2 (0.52) NPSR1LMNAALDH1A1TSHR
SCHEMBL11215460 0.79 SLC6A2 (0.52) NPSR1LMNAALDH1A1TSHR
SCHEMBL1583344 0.78 LMNA (0.44) L3MBTL1LMNAMAPK1GAAALDH1A1
SCHEMBL1583342 0.78 LMNA (0.44) L3MBTL1LMNAMAPK1GAAALDH1A1
SCHEMBL10709139 0.78 IDO1 (0.46) NPSR1L3MBTL1LMNAGAAALDH1A1
SCHEMBL10709134 0.78 IDO1 (0.46) NPSR1L3MBTL1LMNAGAAALDH1A1
SCHEMBL9661411 0.76 ADRA2A (0.41) LMNAALDH1A1TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP claimed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP claimed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO claimed
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-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-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-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 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
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 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 NPSR1 34/4885L3MBTL1 4855/4885LMNA 3004/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPSR1 34/4885L3MBTL1 4855/4885LMNA 3004/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPSR1 34/4885L3MBTL1 4855/4885LMNA 3004/4885

“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.