SCHEMBL5489677

SCHEMBL5489677

CN1CCN(C)c2cc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
DCUN1D1 Q96GG9 12/20 0.48
UBE2M P61081 11/20 0.48
LMNA P02545 2/20 0.44
GRM5 P41594 1/20 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
SCHEMBL5495442 0.87 TP53 (0.46) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5489343 0.85 DCUN1D1 (0.48) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5492399 0.84 DCUN1D1 (0.46) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5781511 0.79 TP53 (0.50) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5493389 0.78 KDM4E (0.44) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5495090 0.77 MAPT (0.52) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5778417 0.77 CCR2 (0.57) TP53RAB9APOLBDCUN1D1UBE2M
SCHEMBL5489684 0.76 BRAF (0.49) TP53RAB9APOLBLMNA
SCHEMBL5494637 0.76 TP53 (0.52) TP53RAB9APOLBLMNA
SCHEMBL5493967 0.76 TP53 (0.51) TP53RAB9APOLBLMNA

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
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
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 TP53 3234/4885RAB9A 3267/4885POLB 3025/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 3229/4885RAB9A 3249/4885POLB 3224/4885

“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.