SCHEMBL5487868

SCHEMBL5487868

COc1ccc(Cl)cc1NC(=O)N(C=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.43
GPX4 P36969 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL5495103 0.86 MAPT (0.53) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL5494472 0.84 NPC1 (0.59) NPC1ALDH1A1NPSR1HTTKMT2A
SCHEMBL5486876 0.80 MAOB (0.56) NPC1ALDH1A1NPSR1HTTKMT2A
SCHEMBL5778760 0.80 ALPI (0.54) NPC1ALDH1A1KMT2AMEN1MAPT
SCHEMBL5782337 0.79 MAPT (0.52) NPC1NPSR1KMT2AMEN1MAPT
SCHEMBL5781561 0.78 MAPT (0.64) NPC1ALDH1A1NPSR1HTTKMT2A
SCHEMBL5487223 0.78 MAOB (0.56) NPC1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL5495242 0.78 RXFP1 (0.48) NPC1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL5780348 0.78 NPC1 (0.58) NPC1ALDH1A1NPSR1HTTKMT2A
SCHEMBL5494106 0.78 NPC1 (0.59) NPC1ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 877/4885ALDH1A1 2397/4885NPSR1 615/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885ALDH1A1 2365/4885NPSR1 498/4885

“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.