SCHEMBL4631997

SCHEMBL4631997

COC(=O)c1ccc(CNCCNC(=O)c2cccc(Nc3cc(C)nc4ccccc34)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 2/20 0.56
MAPT P10636 5/20 0.48
TSHR P16473 2/20 0.48
GUSB P08236 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
PDE5A O76074 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
RAD52 P43351 1/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4832195 0.93 NPC1 (0.56) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4632602 0.92 NPC1 (0.58) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4632730 0.92 NPC1 (0.62) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4832262 0.90 NPC1 (0.58) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4830009 0.87 NPC1 (0.53) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4825099 0.87 HTT (0.60) KDM4ENPC1MAPTTSHRHTT
SCHEMBL4828136 0.87 NPC1 (0.58) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL4832261 0.86 NPC1 (0.57) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL5129454 0.85 NPC1 (0.51) KDM4ENPC1MAPTTSHRGUSB
SCHEMBL8302792 0.85 NPC1 (0.50) KDM4ENPC1MAPTTSHRGUSB

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 8 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-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
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

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 KDM4E 4818/4885NPC1 1830/4885MAPT 3170/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885NPC1 1830/4885MAPT 3170/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885NPC1 1830/4885MAPT 3170/4885

“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.