SCHEMBL3320701

SCHEMBL3320701

CC(C)([CH]C(=O)N1CCN(c2ncccn2)CC1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP14 Q460N5 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PKM P14618 1/20 0.45
SLC6A7 Q99884 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3319292 0.79 L3MBTL1 (0.62) ALDH1A1HTTSMN1; SMN2GAAL3MBTL1
SCHEMBL3321803 0.77 POLB (0.45) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL3319244 0.76 POLB (0.61) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7645352 0.76 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL8362169 0.75 KDM4E (0.58) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL3320702 0.75 KDM4E (0.51) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3320718 0.74 CYP2D6 (0.47) ALDH1A1HPGDGAAHSD17B10MEN1
SCHEMBL15203494 0.74 CYP1A2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4959135 0.74 CYP1A2 (0.42) ALDH1A1HPGDHTTGAAPOLB
SCHEMBL4959105 0.73 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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 KDM4E 4373/4885ALDH1A1 2137/4885MAPT 4845/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KDM4E 4371/4885ALDH1A1 2288/4885MAPT 4855/4885

“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.