SCHEMBL5778804

SCHEMBL5778804

O=CN(C(=O)Nc1cccc(Cl)c1)c1ccc2ocnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 5/20 0.45
POLB P06746 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
CSF1R P07333 1/20 0.43
HSP90AA1 P07900 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL5778894 0.92 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5779995 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL5779748 0.87 NPC1 (0.47) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL5778474 0.87 NPC1 (0.47) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL5779444 0.86 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5777684 0.85 TP53 (0.47) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5779154 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6179736 0.81 KMT2A (0.47) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5780696 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL5780199 0.79 NPC1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 RAB9A 3198/4885NPC1 332/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3041/4885NPC1 689/4885SMN1; 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.