SCHEMBL5493389

SCHEMBL5493389

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)N(CCO)CCN2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DCUN1D1 Q96GG9 12/20 0.42
UBE2M P61081 9/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5492399 0.88 DCUN1D1 (0.46) KDM4EDCUN1D1UBE2MTP53RAB9A
SCHEMBL7090802 0.79 KIF11 (0.45) KDM4E
SCHEMBL27529569 0.78 CCR2 (0.52) KDM4EDCUN1D1UBE2MTP53SMN1; SMN2
SCHEMBL5489677 0.78 TP53 (0.51) DCUN1D1UBE2MTP53RAB9APOLB
SCHEMBL5489343 0.78 DCUN1D1 (0.48) DCUN1D1UBE2MTP53RAB9APOLB
SCHEMBL5495442 0.72 TP53 (0.46) DCUN1D1UBE2MTP53GAARAB9A
SCHEMBL5781511 0.72 TP53 (0.50) KDM4EDCUN1D1UBE2MTP53GAA
SCHEMBL5493967 0.71 TP53 (0.51) TP53RAB9APOLB
SCHEMBL5778417 0.70 CCR2 (0.57) DCUN1D1UBE2MTP53SMN1; SMN2RAB9A
SCHEMBL5495090 0.70 MAPT (0.52) DCUN1D1UBE2MTP53RAB9APOLB

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
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
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP 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 KDM4E 4666/4885DCUN1D1 1510/4885UBE2M 4783/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KDM4E 4714/4885DCUN1D1 1488/4885UBE2M 4733/4885

“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.