SCHEMBL5494723

SCHEMBL5494723

O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(-c2ccco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 7/20 0.47
POLB P06746 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
BLM P54132 3/20 0.47
PTPN7 P35236 3/20 0.47
MCL1 Q07820 2/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5493347 0.84 MGLL (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5494738 0.81 CNR1 (0.57) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL27509888 0.79 HDAC3 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28941049 0.79 NPC1 (0.53) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL27529576 0.79 CNR1 (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5487573 0.78 KMT2A (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5497152 0.78 NPC1 (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5496806 0.78 HPSE (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5491211 0.78 HPSE (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5488722 0.77 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 ALDH1A1 2397/4885KDM4E 4666/4885NPC1 877/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ALDH1A1 2365/4885KDM4E 4714/4885NPC1 686/4885

“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.