SCHEMBL5780935

SCHEMBL5780935

O=CN(C(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 5/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
P2RX4 Q99571 1/20 0.50
EPHX2 P34913 1/20 0.49
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL5783688 0.90 NPC1 (0.57) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL5779189 0.89 EPHX2 (0.50) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5782436 0.88 EPHX2 (0.49) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5781354 0.88 RAB9A (0.59) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL5781109 0.88 KMT2A (0.59) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5778441 0.88 RAB9A (0.54) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5778507 0.87 KMT2A (0.50) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5780677 0.86 FAAH (0.48) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5777680 0.85 NPC1 (0.59) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL5778367 0.85 EPHX2 (0.46) NPC1RAB9AKMT2AMEN1CASP3

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 NPC1 332/4885RAB9A 3198/4885KMT2A 4833/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885KMT2A 4709/4885

“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.