SCHEMBL5779652

SCHEMBL5779652

N#Cc1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
CCR3 P51677 4/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
POLB P06746 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL5495173 0.94 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5779945 0.89 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5779958 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5778441 0.84 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5783688 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5778507 0.84 KMT2A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5780781 0.84 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5781867 0.84 RAB9A (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5781411 0.83 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5492438 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1

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 9 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
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
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 3198/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885SMN1; SMN2 3130/4885

“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.