SCHEMBL5778753

SCHEMBL5778753

O=CN(C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 2/20 0.49
FABP3 P05413 2/20 0.49
FABP5 Q01469 2/20 0.49
CNR1 P21554 1/20 0.49
MAPT P10636 6/20 0.47
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
PKM P14618 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
PNPLA2 Q96AD5 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FAAH O00519 1/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5493814 0.93 NPC1 (0.45) FABP7FABP3FABP5CNR1MAPT
SCHEMBL5780677 0.91 FAAH (0.48) CNR1MAPTNPC1RAB9AMEN1
SCHEMBL5778441 0.91 RAB9A (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5781432 0.88 CNR1 (0.44) FABP7FABP3FABP5CNR1MAPT
SCHEMBL5782160 0.87 CASP3 (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5778618 0.87 NPC1 (0.47) FABP7FABP3FABP5CNR1MAPT
SCHEMBL5778778 0.86 MAPT (0.44) FABP7FABP3FABP5CNR1MAPT
SCHEMBL5779958 0.86 NPC1 (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5783688 0.86 NPC1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5778295 0.86 MAPT (0.45) FABP7FABP3FABP5CNR1MAPT

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
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US 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
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO 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 FABP7 1035/4885FABP3 128/4885FABP5 938/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 FABP7 1005/4885FABP3 143/4885FABP5 655/4885

“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.