SCHEMBL5780348

SCHEMBL5780348

O=CN(C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CACNA1G O43497 1/20 0.46
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GRIK1 P39086 1/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5494472 0.93 NPC1 (0.59) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5782337 0.88 MAPT (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5778760 0.87 ALPI (0.54) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5781354 0.85 RAB9A (0.59) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5779066 0.82 MAOB (0.47) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5780186 0.82 TOP1 (0.53) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL5781867 0.82 RAB9A (0.61) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5782804 0.81 NPC1 (0.58) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5495103 0.80 MAPT (0.53) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5783688 0.79 NPC1 (0.57) 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-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 NPC1 332/4885RAB9A 3198/4885KMT2A 4833/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885KMT2A 4709/4885

“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.