SCHEMBL5486876

SCHEMBL5486876

O=CN(C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
TRPV1 Q8NER1 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL5781354 0.93 RAB9A (0.59) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5487223 0.90 MAOB (0.56) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5498753 0.88 MAOB (0.58) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5489709 0.88 CYP1A2 (0.44) MAOBNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5494106 0.87 NPC1 (0.59) MAOBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5488778 0.86 CCR2 (0.47) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5487882 0.85 NPC1 (0.52) MAOBNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5492133 0.85 TRPV1 (0.54) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5494472 0.85 NPC1 (0.59) MAOBNPC1RAB9ATRPV1SMN1; SMN2
SCHEMBL5779066 0.83 MAOB (0.47) MAOBNPC1RAB9ATRPV1SMN1; 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 7 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
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US 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 MAOB 2897/4885NPC1 877/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAOB 3302/4885NPC1 686/4885RAB9A 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.