SCHEMBL3183167

SCHEMBL3183167

O=[N+]([O-])c1c(F)ccc2onnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HIF1A Q16665 1/20 0.33
ARNT P27540 2/20 0.32
EPAS1 Q99814 2/20 0.32
VCAM1 P19320 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
SCHEMBL1752720 0.80 GPR35 (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5059457 0.80 NPC1 (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL3183161 0.77 TDP1 (0.37) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL3290135 0.72
SCHEMBL7513494 0.71 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHIF1AVCAM1
SCHEMBL4614267 0.70 NCEH1 (0.32) MEN1KMT2APOLBTDP1
SCHEMBL5059455 0.70 TDP1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL31589258 0.70 ALDH1A1 (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL2333611 0.70 TDP1 (0.41) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL3203718 0.70 TDP1 (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-20100029013-A1 Methods for Detecting Asymmetric Dimethylarginine in a Biological Sample NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-04 US disclosed
US-7611844-B2 Methods for detecting asymmetric dimethylarginine in a biological sample BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 2009-11-03 US disclosed
US-20040214252-A1 Methods for detecting asymmetric dimethylarginine in a biological sample NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 US disclosed
WO-2004046314-A2 METHODS FOR DETECTING ASYMMETRIC DIMETHYLARGININE IN A BIOLOGICAL SAMPLE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-06-03 WO disclosed
US-4784962-A Mixture of amino acid derivatives, process of producing the mixture and use of the mixture for quantitative determination of the amino acids HEWLETT-PACKARD COMPANY (US) 1988-11-15 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 (1 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-20100029013-A1 Methods for Detecting Asymmetric Dimethylarginine in a Biological Sample ADM2, PADI3, PADI4 MEN1 1186/4885KMT2A 276/4885USP2 2246/4885

“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.