SCHEMBL4956597

SCHEMBL4956597

CC(C)([CH]C(=O)N(CCc1ccccc1)Cc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL4956601 0.77 CA12 (0.49) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL3422890 0.76 MEN1 (0.56) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL7228409 0.74 MEN1 (0.61) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL2186353 0.73 RCE1 (0.56) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL6418517 0.73 CA12 (0.49) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL6418523 0.73 CA12 (0.49) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL9823156 0.71 HDAC1 (0.54) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL28746888 0.70 KMT2A (0.50) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL1953503 0.70 TDP1 (0.61) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL6415693 0.70 HDAC1 (0.48) RCE1KMT2AMEN1NPC1RAB9A

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-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 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 (3 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 RCE1 1100/4885RECQL 1695/4885KMT2A 2997/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 RCE1 1100/4885RECQL 1695/4885KMT2A 2997/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 RCE1 1116/4885RECQL 3412/4885KMT2A 2322/4885

“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.