SCHEMBL3320702

SCHEMBL3320702

CC(C)(CC(=O)N1CCN(c2ncccn2)CC1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 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
SCHEMBL392458 0.85 KDM4E (0.56) KDM4EPOLBLMNASMN1; SMN2HSD17B10
SCHEMBL3319297 0.79 L3MBTL1 (0.62) SMN1; SMN2ALDH1A1L3MBTL1RAB9AHTT
SCHEMBL5888051 0.77 KDM4E (0.60) KDM4EPOLBSMN1; SMN2PPARGNR2E3
SCHEMBL10219911 0.77 KDM4E (0.60) KDM4EPOLBPPARGNR2E3NCOR2
SCHEMBL3321806 0.77 POLB (0.45) KDM4EPOLBLMNASMN1; SMN2HSD17B10
SCHEMBL3319245 0.76 POLB (0.61) KDM4EPOLBLMNASMN1; SMN2HSD17B10
Ammonia Solution, Strong SCHEMBL5888116 0.76 KDM4E (0.58) KDM4EPOLBSMN1; SMN2PPARGNR2E3
Hydrochloric Acid SCHEMBL5887944 0.76 KDM4E (0.58) KDM4EPOLBSMN1; SMN2PPARGNR2E3
SCHEMBL8362169 0.75 KDM4E (0.58) KDM4EHSD17B10ALDH1A1L3MBTL1MEN1
SCHEMBL3320701 0.75 KDM4E (0.48) KDM4EPOLBLMNASMN1; SMN2HSD17B10

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 6 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-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 4373/4885POLB 771/4885LMNA 2462/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KDM4E 4371/4885POLB 752/4885LMNA 2435/4885

“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.