SCHEMBL5779555

SCHEMBL5779555

O=CN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2ncoc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
P2RX4 Q99571 3/20 0.43
APEX1 P27695 1/20 0.43
LMNA P02545 3/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
GRM4 Q14833 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
BAZ1A Q9NRL2 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL5779444 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2APEX1LMNA
SCHEMBL5780696 0.89 RAB9A (0.47) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5778894 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5783131 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5779171 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5781978 0.81 GRM4 (0.42) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5779995 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2EPHX2NAMPT
SCHEMBL5781453 0.80 NPC1 (0.40) NPC1RAB9ASMN1; SMN2P2RX4NAMPT
SCHEMBL5778499 0.79 TP53 (0.47) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5780063 0.79 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2P2RX4LMNA

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 10 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-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-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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 (1 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-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.