SCHEMBL5778841

SCHEMBL5778841

O=CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
P2RX5 Q93086 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX7 Q99572 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
MAPT P10636 6/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
TLR9 Q9NR96 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
PTPN1 P18031 1/20 0.47
SETD7 Q8WTS6 1/20 0.46
EPHX2 P34913 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL5781650 0.88 MAPT (0.62) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5783688 0.86 NPC1 (0.57) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5779189 0.85 EPHX2 (0.50) MEN1KMT2AP2RX5P2RX4P2RX7
SCHEMBL5781109 0.84 KMT2A (0.59) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5782436 0.84 EPHX2 (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5781354 0.84 RAB9A (0.59) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5780935 0.84 NPC1 (0.56) MEN1KMT2AP2RX4MAPTRAB9A
SCHEMBL5778441 0.83 RAB9A (0.54) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5778203 0.82 AR (0.50) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5780677 0.82 FAAH (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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
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
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US 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 MEN1 2213/4885KMT2A 4833/4885P2RX5 4391/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MEN1 1988/4885KMT2A 4709/4885P2RX5 3711/4885

“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.