SCHEMBL5494472

SCHEMBL5494472

O=CN(C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.59
RAB9A P51151 11/20 0.59
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL5780348 0.93 NPC1 (0.58) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5495103 0.87 MAPT (0.53) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5486876 0.85 MAOB (0.56) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5487868 0.84 NPC1 (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5487223 0.82 MAOB (0.56) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5495242 0.82 RXFP1 (0.48) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5494106 0.82 NPC1 (0.59) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5782337 0.81 MAPT (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5498753 0.81 MAOB (0.58) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5778760 0.80 ALPI (0.54) NPC1RAB9AKMT2AMAPTSMN1; SMN2

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-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP 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
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO 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 877/4885RAB9A 3267/4885KMT2A 4655/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885RAB9A 3249/4885KMT2A 4673/4885

“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.