SCHEMBL3320501

SCHEMBL3320501

CC(C)([CH]C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
MAOB P27338 1/20 0.52
NPSR1 Q6W5P4 4/20 0.52
HPGD P15428 1/20 0.51
CACNA2D1 P54289 2/20 0.50
CACNA1B Q00975 2/20 0.50
CACNB1 Q02641 2/20 0.50
CACNA1C Q13936 2/20 0.50
TACR3 P29371 1/20 0.50
CACNA1H O95180 1/20 0.50
MGLL Q99685 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5624203 0.77 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3320505 0.76 CACNA2D1 (0.60) KMT2AMEN1ALDH1A1MAOBNPSR1
SCHEMBL6135909 0.76 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL27743845 0.75 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7387011 0.74 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14655392 0.74 CA12 (0.46) KMT2AALDH1A1
SCHEMBL13994872 0.74 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3320244 0.73 MEN1 (0.63) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27545187 0.73 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4278102 0.73 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTKDM4E

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 5 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
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 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 KMT2A 3765/4885MEN1 2824/4885ALDH1A1 2137/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KMT2A 3725/4885MEN1 2736/4885ALDH1A1 2288/4885

“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.