SCHEMBL5486894

SCHEMBL5486894

O=C(NC(=O)c1ccc2ncccc2c1)Nc1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
PLK1 P53350 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
PABPC1 P11940 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
BRAF P15056 1/20 0.46

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
SCHEMBL5497152 0.87 NPC1 (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5498746 0.86 PLK1 (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL27510612 0.83 BRAF (0.63) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL9750287 0.83 PLK1 (0.63) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5492631 0.81 NPC1 (0.60) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL27529537 0.80 KMT2A (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6895323 0.78 RAB9A (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28741178 0.77 RAB9A (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29639152 0.77 RAB9A (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2403473 0.75 ALDH1A1 (0.62) NPC1RAB9ACASP3SENP8SENP7

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 8 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-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

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 3267/4885CASP3 2571/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885RAB9A 3249/4885CASP3 2815/4885

“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.