SCHEMBL5487291

SCHEMBL5487291

O=C(O)COc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 10/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
POLB P06746 4/20 0.45
TP53 P04637 3/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5498824 0.90 RAB9A (0.44) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5488756 0.87 MAPT (0.49) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5486853 0.86 KCNH2 (0.44) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5489330 0.83 CCR2 (0.58) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5488744 0.82 RAB9A (0.46) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5491138 0.81 PYGL (0.52) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5491063 0.81 CCR2 (0.60) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5493983 0.80 PPARA (0.51) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL5493767 0.80 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL5496386 0.79 ACLY (0.52) RAB9ASMN1; SMN2MAPTGAANPC1

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 RAB9A 3267/4885SMN1; SMN2 3219/4885MAPT 2283/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3249/4885SMN1; SMN2 3141/4885MAPT 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.