SCHEMBL5777713

SCHEMBL5777713

Cn1cnc2cc(C(=O)NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
TP53 P04637 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54
MAOB P27338 4/20 0.53
NAMPT P43490 1/20 0.53
CCR2 P41597 1/20 0.52
MAOA P21397 3/20 0.51
ACHE P22303 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
PRNP P04156 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
PCTP Q9UKL6 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL5779461 0.80 MAOB (0.82) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7758381 0.79 MEN1 (0.75) NPC1RAB9AMAPTCCR2MEN1
SCHEMBL5489330 0.79 CCR2 (0.58) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL5780807 0.77 MAOB (0.67) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL5487886 0.77 CCR2 (0.56) NPC1RAB9AMAPTMAOBCCR2
SCHEMBL8360112 0.76 NAMPT (0.61) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL5492631 0.73 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL16318591 0.73 NAMPT (0.60) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2242857 0.72 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL12047771 0.72 RAB9A (0.65) NPC1RAB9ATP53SMN1; SMN2MAPT

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-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
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 NPC1 332/4885RAB9A 3198/4885TP53 2097/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885TP53 2886/4885

“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.