SCHEMBL3586201

SCHEMBL3586201

Cn1c(C(N)=O)cc2ccc[c]c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
MCL1 Q07820 2/20 0.36
CCR2 P41597 1/20 0.33
DAO P14920 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PLA2G10 O15496 3/20 0.33
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRPF1 P55201 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F10 P00742 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3345878 0.81 EGFR (0.37) SLC9A1BRD4KDM4EALDH1A1BRPF1
SCHEMBL2799169 0.74 SLC9A1 (0.43) SLC9A1MCL1CCR2PLA2G10BRD4
SCHEMBL2323444 0.69 MCL1 (0.71) SLC9A1MCL1DAOPLA2G10MAPT
SCHEMBL3579681 0.69 BRD9 (0.41) BRD4KDM4EALDH1A1BRPF1SMN1; SMN2
Hydrochloric Acid SCHEMBL28264080 0.68 MCL1 (0.69) SLC9A1MCL1DAOPLA2G10MAPT
SCHEMBL3581385 0.67 NNMT (0.37) KDM4EALDH1A1SMN1; SMN2KMT2APIM1
SCHEMBL26037787 0.66 PLA2G10 (0.51) SLC9A1MCL1PLA2G10F10CLK1
SCHEMBL3347472 0.65 NPC1 (0.36) CCR2PLA2G10ALDH1A1F10PKM
SCHEMBL5750475 0.65 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10PKM
SCHEMBL23727323 0.65 PARP1 (0.47) SLC9A1MCL1CCNCCDK8MAPT

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-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

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 SLC9A1 4613/4885MCL1 209/4885CCR2 106/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS SLC9A1 4164/4885MCL1 105/4885CCR2 659/4885

“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.