SCHEMBL5495384

SCHEMBL5495384

O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 12/20 0.56
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
TP53 P04637 4/20 0.56
GAA P10253 4/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
PKM P14618 2/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 3/20 0.50

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
SCHEMBL5493301 0.99 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5496806 0.87 HPSE (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5493296 0.86 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491211 0.86 HPSE (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5487242 0.85 PYGL (0.54) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL27509542 0.84 SMN1; SMN2 (0.58) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491138 0.84 PYGL (0.52) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5496386 0.84 ACLY (0.52) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491231 0.83 ACLY (0.51) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5489330 0.83 CCR2 (0.58) RAB9ANPC1MAPTSMN1; SMN2TP53

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 8 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
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN 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

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 3267/4885NPC1 877/4885MAPT 2283/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3249/4885NPC1 686/4885MAPT 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.