SCHEMBL5489215

SCHEMBL5489215

CCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc3c(c2)NCCN3)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR2 P41597 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5488756 0.83 MAPT (0.49) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL5492511 0.81 KMT2A (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5489203 0.80 MAPT (0.41) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL5489352 0.77 CCR2 (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6180094 0.73 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5491052 0.73 SMN1; SMN2 (0.60) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5492650 0.72 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4856511 0.72 RORC (0.55) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL5495759 0.72 CCR2 (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5492637 0.72 CCR2 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 RORC 955/4885MAPT 2283/4885ALDH1A1 2397/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RORC 676/4885MAPT 1663/4885ALDH1A1 2365/4885

“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.