SCHEMBL3183161

SCHEMBL3183161

O=[N+]([O-])c1ccc2onnc2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
ATM Q13315 1/20 0.37
IDO1 P14902 3/20 0.35
ALDH1A1 P00352 5/20 0.33
HIF1A Q16665 2/20 0.33
MAPT P10636 4/20 0.32
GSTP1 P09211 2/20 0.32
GSTM2 P28161 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP6 P55212 3/20 0.31
VCAM1 P19320 1/20 0.31
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
LMNA P02545 3/20 0.31
POLB P06746 2/20 0.31
CTSB P07858 2/20 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
SCHEMBL5059455 0.80 TDP1 (0.46) TDP1IDO1ALDH1A1HIF1AMAPT
SCHEMBL31589258 0.80 ALDH1A1 (0.40) TDP1ALDH1A1MAPTGSTP1GSTM2
SCHEMBL1752719 0.80 GPR35 (0.44) TDP1IDO1ALDH1A1HIF1AMAPT
SCHEMBL3183167 0.77 MEN1 (0.34) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL29732491 0.76 MEN1 (0.46) TDP1ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL19244 0.76 MEN1 (0.46) TDP1ALDH1A1MAPTSMN1; SMN2CYP3A4
Fluoride SCHEMBL10627364 0.75 MEN1 (0.45) TDP1ALDH1A1MAPTSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10625153 0.75 MEN1 (0.45) TDP1ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL3203718 0.73 TDP1 (0.41) TDP1ATMIDO1ALDH1A1HIF1A
SCHEMBL2333611 0.73 TDP1 (0.41) TDP1ATMIDO1ALDH1A1HIF1A

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 4 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

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 TDP1 623/4885ATM 1529/4885IDO1 228/4885

“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.