SCHEMBL2010493

SCHEMBL2010493

NP(N)(=O)NCc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
THRB P10828 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.36
KAT2B Q92831 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL2012871 0.82 HSD17B10 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL2010479 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL2008510 0.80 MEN1 (0.35) ALDH1A1HIF1AKMT2AMEN1CYP1A2
SCHEMBL5001384 0.76 ALDH1A1 (0.52) ALDH1A1HIF1AKMT2ACYP1A2TDP1
SCHEMBL29673195 0.76 ALDH1A1 (0.52) ALDH1A1HIF1AKMT2ACYP1A2TDP1
SCHEMBL4297302 0.74 LOXL2 (0.53) ALDH1A1CYP1A2POLBTSHR
Hydrochloric Acid SCHEMBL20766281 0.74 ALDH1A1 (0.50) ALDH1A1HIF1AKMT2ACYP1A2TDP1
SCHEMBL20718830 0.74 ALDH1A1 (0.50) ALDH1A1HIF1AKMT2AMEN1CYP1A2
SCHEMBL29780563 0.74 ALDH1A1 (0.50) ALDH1A1HIF1AKMT2AMEN1CYP1A2
SCHEMBL16207595 0.74 ALDH1A1 (0.53) ALDH1A1HIF1AKMT2AMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322768-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING PROTOZOAN INFECTIONS QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-12-20 US disclosed
WO-2011066416-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PROTOZOAN INFECTIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-03 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-20120322768-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING PROTOZOAN INFECTIONS PHOSPHO1, CYCS, DPM1 ALDH1A1 2072/4885HIF1A 2452/4885KMT2A 2482/4885

“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.