SCHEMBL5487882

SCHEMBL5487882

Cc1ccc(NC(=O)N(C=O)c2ccc3c(c2)OCCO3)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.52
RAB9A P51151 12/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 1/20 0.52
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL5781538 0.94 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5498753 0.90 MAOB (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5488778 0.88 CCR2 (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5497611 0.87 NPC1 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5486876 0.85 MAOB (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5497638 0.84 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5782804 0.83 NPC1 (0.58) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5487223 0.83 MAOB (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5495103 0.83 MAPT (0.53) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5491134 0.82 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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 NPC1 877/4885RAB9A 3267/4885MEN1 2382/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885RAB9A 3249/4885MEN1 2483/4885

“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.