SCHEMBL5487223

SCHEMBL5487223

O=CN(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
NPC1 O15118 11/20 0.44
RAB9A P51151 11/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 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
SCHEMBL5779066 0.93 MAOB (0.47) MAOBNPC1RAB9ATRPV1NPSR1
SCHEMBL5486876 0.90 MAOB (0.56) MAOBNPC1RAB9ATRPV1CYP1A2
SCHEMBL5494106 0.90 NPC1 (0.59) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL5498753 0.86 MAOB (0.58) MAOBNPC1RAB9ATRPV1CYP1A2
SCHEMBL5488778 0.84 CCR2 (0.47) MAOBNPC1RAB9ATRPV1CYP1A2
SCHEMBL5781354 0.83 RAB9A (0.59) MAOBNPC1RAB9ATRPV1NPSR1
SCHEMBL5489709 0.83 CYP1A2 (0.44) MAOBNPC1RAB9ACYP1A2CYP2C19
SCHEMBL5487882 0.83 NPC1 (0.52) MAOBNPC1RAB9ACYP1A2CYP2C19
SCHEMBL5491070 0.83 RAB9A (0.44) MAOBNPC1RAB9ATRPV1CYP1A2
SCHEMBL5487282 0.82 TRPV1 (0.46) NPC1RAB9ATRPV1CYP1A2CYP2C19

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.