SCHEMBL5779066

SCHEMBL5779066

O=CN(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL5487223 0.93 MAOB (0.56) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5781354 0.90 RAB9A (0.59) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5781867 0.90 RAB9A (0.61) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5783688 0.87 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5782804 0.86 NPC1 (0.58) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5778441 0.85 RAB9A (0.54) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5779189 0.84 EPHX2 (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5780262 0.84 CCR2 (0.55) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5779324 0.83 NPC1 (0.58) MAOBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5486876 0.83 MAOB (0.56) MAOBRAB9ANPC1SMN1; SMN2KMT2A

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 11 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
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 MAOB 2742/4885RAB9A 3198/4885NPC1 332/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAOB 3387/4885RAB9A 3041/4885NPC1 689/4885

“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.