SCHEMBL5487584

SCHEMBL5487584

O=CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
KMT2A Q03164 7/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MEN1 O00255 6/20 0.64
LMNA P02545 5/20 0.64
NPC1 O15118 4/20 0.64
BAZ1A Q9NRL2 2/20 0.64
SETD7 Q8WTS6 1/20 0.53
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.47
DDX3X O00571 1/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
PLK1 P53350 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL5781650 0.94 MAPT (0.62) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5494106 0.83 NPC1 (0.59) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5491134 0.83 NPC1 (0.59) MAPTKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL5491158 0.83 NPC1 (0.45) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5496710 0.83 MAOB (0.59) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5494712 0.82 NPC1 (0.53) MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5778841 0.82 MEN1 (0.54) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5493814 0.82 NPC1 (0.45) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5497578 0.80 RAB9A (0.55) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL5492438 0.80 NPC1 (0.44) MAPTKMT2ARAB9ASMN1; SMN2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
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 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

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 MAPT 2283/4885KMT2A 4655/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1663/4885KMT2A 4673/4885RAB9A 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.