SCHEMBL5867012

SCHEMBL5867012

O=[N+]([O-])c1ccc2oc(/C(=N/c3ccccc3)NO)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
F12 P00748 1/20 0.47
PSMD14 O00487 1/20 0.47
TLR9 Q9NR96 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.44
CYP24A1 Q07973 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL5867015 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5866850 0.88 LMNA (0.62) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5867063 0.79 IDO1 (0.52) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5867064 0.79 IDO1 (0.52) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5866930 0.79 IDO1 (0.55) ALDH1A1KMT2AMAPTRAB9ANPC1
SCHEMBL5866931 0.79 IDO1 (0.55) ALDH1A1KMT2AMAPTRAB9ANPC1
SCHEMBL5867017 0.79 F12 (0.58) MEN1KMT2AMAPTLMNAF12
SCHEMBL5866761 0.76 BCAT1 (0.50) ALDH1A1MAPTMAOBRAB9ANPC1
SCHEMBL5866760 0.76 BCAT1 (0.50) ALDH1A1MAPTMAOBRAB9ANPC1
SCHEMBL30100149 0.75 MAOA (0.67) ALDH1A1MEN1KMT2AMAPTLMNA

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 ALDH1A1 3919/4885MEN1 1387/4885KMT2A 2647/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP ALDH1A1 2950/4885MEN1 2812/4885KMT2A 3909/4885
US-20020045749-A1 Antibacterial agents MRPL21, HDHD5, CLPP ALDH1A1 2950/4885MEN1 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.