SCHEMBL5496722

SCHEMBL5496722

CCCOc1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1C(=O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
RAB9A P51151 7/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NPC1 O15118 5/20 0.47
POLB P06746 5/20 0.47
TP53 P04637 5/20 0.47
AHR P35869 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 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
SCHEMBL6503011 0.99 MAPT (0.52) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL27584176 0.89 MAPT (0.50) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL27601764 0.87 MAPT (0.55) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5499030 0.84 MAPT (0.49) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5492140 0.82 MAPT (0.47) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5487242 0.80 PYGL (0.54) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL27509164 0.80 THRB (0.54) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5491138 0.79 PYGL (0.52) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5493301 0.78 RAB9A (0.55) MAPTSMN1; SMN2RAB9AGAAMEN1
SCHEMBL5491231 0.78 ACLY (0.51) MAPTSMN1; SMN2RAB9AGAAMEN1

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 6 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 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 (1 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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1663/4885SMN1; SMN2 3141/4885RAB9A 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.