SCHEMBL4828150

SCHEMBL4828150

Cc1cc(Nc2cccc(C(=O)NCCNCCCc3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
MAPT P10636 3/20 0.49
GUSB P08236 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
RAD52 P43351 1/20 0.46
RAB9A P51151 3/20 0.45
GALR3 O60755 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
OPRK1 P41145 1/20 0.44
ROCK2 O75116 1/20 0.43
GRK2 P25098 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
SCHEMBL4826173 0.94 NPC1 (0.61) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4632730 0.90 NPC1 (0.62) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4828136 0.86 NPC1 (0.58) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4832289 0.86 NPC1 (0.60) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4632753 0.86 NPC1 (0.62) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4831829 0.85 NPC1 (0.57) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4832261 0.85 NPC1 (0.57) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4828232 0.85 NPC1 (0.67) NPC1MAPTGUSBKDM4EHTT
SCHEMBL4834116 0.85 NPC1 (0.55) NPC1MAPTGUSBKDM4EHTT
SCHEMBL5359235 0.85 NPC1 (0.61) NPC1MAPTGUSBKDM4EHTT

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-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
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (2 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 NPC1 1830/4885MAPT 3170/4885GUSB 2763/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPC1 1830/4885MAPT 3170/4885GUSB 2763/4885

“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.