SCHEMBL5487573

SCHEMBL5487573

O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.72
MEN1 O00255 10/20 0.72
NPC1 O15118 10/20 0.72
RAB9A P51151 10/20 0.72
POLB P06746 3/20 0.72
CCR2 P41597 1/20 0.59
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDR P35968 1/20 0.53
GRM4 Q14833 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ATM Q13315 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL5498746 0.87 PLK1 (0.57) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5491206 0.85 NPC1 (0.52) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29590504 0.85 MEN1 (0.76) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL14783121 0.85 MEN1 (0.76) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5496806 0.85 HPSE (0.54) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5497152 0.85 NPC1 (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5491211 0.84 HPSE (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5493347 0.84 MGLL (0.55) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL15688916 0.84 MEN1 (0.79) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5489330 0.84 CCR2 (0.58) KMT2AMEN1NPC1RAB9APOLB

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 14 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
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
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 KMT2A 4655/4885MEN1 2382/4885NPC1 877/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KMT2A 4673/4885MEN1 2483/4885NPC1 686/4885

“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.