SCHEMBL5487279

SCHEMBL5487279

O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.54
ADORA3 P0DMS8 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
CNR1 P21554 4/20 0.46
FDPS P14324 1/20 0.45
PARP1 P09874 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MIF P14174 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 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
SCHEMBL5495371 0.85 PLAU (0.49) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL5495080 0.84 MEN1 (0.49) KMT2AMEN1NPC1GAAMAPT
SCHEMBL5487890 0.84 CCR2 (0.44) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL5495759 0.84 CCR2 (0.61) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL5487229 0.82 KMT2A (0.52) KMT2AMEN1NPC1GAAMAPT
SCHEMBL5492454 0.81 RPS6KA2 (0.46) KMT2AMEN1NPC1RXFP1RAB9A
SCHEMBL5492667 0.80 CCR2 (0.64) KMT2AMEN1NPC1GAAMAPT
SCHEMBL5493347 0.77 MGLL (0.55) MGLLADORA3KMT2AMEN1NPC1
SCHEMBL6180094 0.77 ALDH1A1 (0.50) KMT2AMEN1NPC1KDM4EMAPT
SCHEMBL5489352 0.76 CCR2 (0.61) KMT2AMEN1NPC1KDM4EGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US disclosed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MGLL 577/4885ADORA3 1295/4885KMT2A 4655/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MGLL 724/4885ADORA3 1336/4885KMT2A 4673/4885

“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.