SCHEMBL5493852

SCHEMBL5493852

COC(=O)c1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
MAPT P10636 8/20 0.55
POLB P06746 6/20 0.55
LMNA P02545 4/20 0.55
GAA P10253 4/20 0.55
SMN1; SMN2 Q16637 9/20 0.54
RAB9A P51151 12/20 0.52
NPC1 O15118 11/20 0.52
TP53 P04637 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 3/20 0.52
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL5493809 0.90 KMT2A (0.58) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5491312 0.90 RAB9A (0.49) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5491315 0.88 KMT2A (0.48) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5496386 0.88 ACLY (0.52) KMT2AMEN1MAPTPOLBGAA
SCHEMBL5491231 0.87 ACLY (0.51) KMT2AMEN1MAPTPOLBGAA
SCHEMBL5491191 0.86 MAPT (0.56) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5491219 0.86 RAB9A (0.48) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5489330 0.85 CCR2 (0.58) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5492280 0.82 SMN1; SMN2 (0.52) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL5491138 0.81 PYGL (0.52) KMT2AMEN1MAPTPOLBLMNA

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
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN 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
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN 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 2382/4885MAPT 2283/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KMT2A 4673/4885MEN1 2483/4885MAPT 1663/4885

“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.