SCHEMBL5779958

SCHEMBL5779958

O=CN(C(=O)Nc1cccc(F)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.62
RAB9A P51151 9/20 0.62
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.52
CASP1 P29466 2/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44

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
SCHEMBL5781109 0.88 KMT2A (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5778441 0.88 RAB9A (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5783688 0.88 NPC1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5780781 0.87 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5778507 0.87 KMT2A (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5781867 0.87 RAB9A (0.61) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5778417 0.87 CCR2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5778753 0.86 FABP7 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5781994 0.86 RAB9A (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5779324 0.86 NPC1 (0.58) NPC1RAB9AKMT2AMEN1SMN1; 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 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 3198/4885KMT2A 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.