SCHEMBL5498746

SCHEMBL5498746

O=C(NC(=O)c1ccc2ncccc2c1)Nc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 3/20 0.56
CCR2 P41597 1/20 0.56
HTT P42858 2/20 0.54
KDR P35968 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
DOT1L Q8TEK3 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
GRM4 Q14833 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PABPC1 P11940 1/20 0.51

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
SCHEMBL5487573 0.87 KMT2A (0.72) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5486894 0.86 NPC1 (0.67) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL5492631 0.86 NPC1 (0.60) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL27510612 0.83 BRAF (0.63) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL9750287 0.83 PLK1 (0.63) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL30503659 0.81 PABPC1 (0.74) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL29024922 0.81 PABPC1 (0.74) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27532202 0.80 CCR2 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL15619358 0.78 MEN1 (0.54) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL29639152 0.77 RAB9A (0.64) PLK1NPC1RAB9AMEN1KMT2A

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-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

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 PLK1 3106/4885NPC1 877/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PLK1 3422/4885NPC1 686/4885RAB9A 3249/4885

“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.