SCHEMBL3203718

SCHEMBL3203718

O=[N+]([O-])c1ccc(F)c2nnoc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 2/20 0.40
VCAM1 P19320 1/20 0.38
CASP6 P55212 2/20 0.37
IDO1 P14902 7/20 0.35
MAPT P10636 3/20 0.33
TDO2 P48775 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2333611 0.87 TDP1 (0.41) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL31658972 0.80 GSTP1 (0.46) TDP1ALDH1A1CASP6IDO1MAPT
SCHEMBL2313725 0.80 TDP1 (0.46) TDP1ALDH1A1VCAM1IDO1MAPT
SCHEMBL30665014 0.75 ALDH1A1 (0.38) ALDH1A1CASP6MAPTLMNATSHR
SCHEMBL29118433 0.75 ALDH1A1 (0.38) ALDH1A1CASP6MAPTLMNATSHR
SCHEMBL6685709 0.74 IDO1 (0.36) ALDH1A1IDO1MAPTPOLBMEN1
SCHEMBL20836034 0.73 TDP1 (0.41) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1100536 0.73 ALDH1A1 (0.46) TDP1ALDH1A1VCAM1IDO1MAPT
SCHEMBL2310322 0.73 TDP1 (0.41) TDP1ALDH1A1IDO1MAPTLMNA
SCHEMBL3183161 0.73 TDP1 (0.37) TDP1ATMALDH1A1HIF1AVCAM1

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 1529/4885ALDH1A1 866/4885

“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.