SCHEMBL5867017

SCHEMBL5867017

O=[N+]([O-])c1ccc2oc(C(=NO)Nc3ccccc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.58
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
PSMD14 O00487 1/20 0.50
TLR9 Q9NR96 1/20 0.50
RAB9A P51151 3/20 0.48
MMP2 P08253 1/20 0.48
NPC1 O15118 2/20 0.47
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.46
CYP24A1 Q07973 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 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
SCHEMBL5866846 0.88 MEN1 (0.52) F12MEN1KMT2AMAPTLMNA
SCHEMBL5866847 0.88 MEN1 (0.52) F12MEN1KMT2AMAPTLMNA
SCHEMBL5867051 0.84 F12 (0.72) F12MEN1KMT2AMAPTLMNA
SCHEMBL5867065 0.79 NPC1 (0.63) F12MEN1KMT2AMAPTLMNA
SCHEMBL5866934 0.79 BCAT1 (0.47) KMT2AMAPTLMNARAB9AMMP2
SCHEMBL5867012 0.79 ALDH1A1 (0.57) F12MEN1KMT2AMAPTLMNA
SCHEMBL5867015 0.79 ALDH1A1 (0.57) F12MEN1KMT2AMAPTLMNA
SCHEMBL5866763 0.76 MAOB (0.56) MEN1KMT2AMAPTRAB9AMMP2
SCHEMBL654558 0.75 MAOA (0.67) F12MEN1KMT2AMAPTLMNA
SCHEMBL30100149 0.75 MAOA (0.67) F12MEN1KMT2AMAPTLMNA

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-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 US disclosed
US-20020045749-A1 Antibacterial agents AMGEN INC. 2002-04-18 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 (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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 F12 4858/4885MEN1 1387/4885KMT2A 2647/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP F12 4737/4885MEN1 2812/4885KMT2A 3909/4885
US-20020045749-A1 Antibacterial agents MRPL21, HDHD5, CLPP F12 4737/4885MEN1 2812/4885KMT2A 3909/4885

“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.