SCHEMBL5389075

SCHEMBL5389075

S=c1[nH]c2nccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.35
PSMB8 P28062 1/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 3/20 0.34
SIRT1 Q96EB6 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPK8 P45983 1/20 0.33
XDH P47989 2/20 0.31
CCNB2 O95067 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
SCHEMBL3961933 0.69 GDA (0.44) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30572345 0.69 GDA (0.44) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL340668 0.69 GDA (0.44) TDP1ALDH1A1MAPTKDM4EHSD17B10
Hydrochloric Acid SCHEMBL3957661 0.67 GDA (0.43) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL12590225 0.65 MAPK1 (0.44) KDM4EMAPK1MAPK8CCNB2CDK1
SCHEMBL1388223 0.63 TDP1 (1.00) ERAP1TDP1ALDH1A1LMNAMAPT
SCHEMBL36504 0.62
SCHEMBL6131048 0.55
SCHEMBL2927541 0.54
SCHEMBL29531671 0.54 ADORA2A (0.40) TDP1ALDH1A1LMNAMAPTKDM4E

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-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 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 (3 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 ERAP1 875/4885TDP1 1113/4885ALDH1A1 1318/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 ERAP1 1992/4885TDP1 4725/4885ALDH1A1 2083/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 ERAP1 966/4885TDP1 1469/4885ALDH1A1 1422/4885

“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.