SCHEMBL5489352

SCHEMBL5489352

O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.61
MAOB P27338 1/20 0.48
EPHX2 P34913 2/20 0.44
PYGL P06737 5/20 0.43
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
AURKB Q96GD4 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 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
SCHEMBL6180094 0.84 ALDH1A1 (0.50) CCR2PYGLMEN1MAPTKMT2A
SCHEMBL5492650 0.83 ALDH1A1 (0.49) CCR2PYGLMEN1MAPTKMT2A
SCHEMBL5495759 0.82 CCR2 (0.61) CCR2MAOBPYGLMEN1MAPT
SCHEMBL5492637 0.82 CCR2 (0.46) CCR2PYGLMEN1MAPTKMT2A
SCHEMBL5487911 0.82 KDR (0.57) EPHX2MAPTRAB9AAURKBGAA
SCHEMBL5492511 0.78 KMT2A (0.49) CCR2PYGLMEN1MAPTKMT2A
SCHEMBL5487890 0.77 CCR2 (0.44) CCR2MEN1MAPTKMT2ANPC1
SCHEMBL5491063 0.77 CCR2 (0.60) CCR2MAOBHSD17B10MEN1MAPT
SCHEMBL5495080 0.77 MEN1 (0.49) CCR2MAOBMEN1MAPTKMT2A
SCHEMBL5489215 0.77 RORC (0.43) CCR2MAOBHSD17B10MEN1MAPT

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 11 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
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 CCR2 1/4885MAOB 2897/4885EPHX2 2644/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885MAOB 3302/4885EPHX2 2486/4885

“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.