SCHEMBL3315587

SCHEMBL3315587

CC(C)(CC(=O)N1CCN(Cc2cccnc2)CC1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MAPT P10636 1/20 0.47
TACR3 P29371 1/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 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
SCHEMBL6135913 0.85 LMNA (0.56) KDM4EALDH1A1LMNAPOLB
SCHEMBL1307819 0.81 KDM4E (0.70) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL16130555 0.81 KDM4E (0.70) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL3320223 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTPOLB
SCHEMBL3315585 0.81 KDM4E (0.54) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL12935916 0.80 ALDH1A1 (0.62) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL3318521 0.79 FAAH (0.54) KDM4EALDH1A1LMNA
SCHEMBL8144593 0.79 KDM4E (0.66) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL27781452 0.78 KDM4E (0.69) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL17007693 0.77 KDM4E (0.58) KDM4EALDH1A1TDP1CHRNB2CHRNA4

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
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 KDM4E 4373/4885ALDH1A1 2137/4885TDP1 4610/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KDM4E 4371/4885ALDH1A1 2288/4885TDP1 4606/4885

“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.