SCHEMBL3583270

SCHEMBL3583270

Cc1nc2ccc[c]c2nc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KAT2B Q92831 1/20 0.36
SOAT1 P35610 4/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 1/20 0.34
NUDT1 P36639 1/20 0.34
LCK P06239 1/20 0.34
MAP2K3 P46734 1/20 0.34
MAP2K6 P52564 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL3583877 0.94 DGAT1 (0.36) DGAT1KDM4EHSD17B10TP53LMNA
SCHEMBL3574115 0.78 IKBKB (0.34) KDM4EALDH1A1LCKMAP2K3MAP2K6
SCHEMBL4573051 0.77 GPR3 (0.39) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL11973582 0.75 PARP1 (0.36) KDM4ETP53LMNAADORA3PKM
SCHEMBL7390432 0.71 MAPT (0.42) DGAT1KDM4EHSD17B10TP53LMNA
SCHEMBL3345725 0.71 KDM4E (0.47) KDM4EHSD17B10TP53ALDH1A1CYP1A2
SCHEMBL3569772 0.69 KDM4E (0.44) KDM4EALDH1A1LCKPARP1IKBKB
SCHEMBL13835817 0.69 IKBKB (0.37) LMNAALDH1A1MAP2K3PARP1IKBKB
SCHEMBL7718725 0.69 KDM4E (0.44) DGAT1KDM4ELMNAADORA3PKM
SCHEMBL18249551 0.66 TLR8 (0.40) KDM4EHSD17B10LMNAALDH1A1CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060189604-A1 Compounds ELANE, PIGS, SDHA DGAT1 2205/4885KDM4E 3723/4885HSD17B10 931/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS DGAT1 2172/4885KDM4E 4273/4885HSD17B10 1307/4885

“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.