SCHEMBL2010479

SCHEMBL2010479

NP(N)(=O)NCc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
POLB P06746 1/20 0.47
PDE7A Q13946 1/20 0.43
MAPT P10636 5/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ARNT P27540 1/20 0.36
EPAS1 Q99814 1/20 0.36
P2RX1 P51575 1/20 0.36

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
SCHEMBL2010493 0.82 ALDH1A1 (0.42) ALDH1A1POLBMAPTHTTMEN1
SCHEMBL20214378 0.80 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL2012871 0.79 HSD17B10 (0.49) ALDH1A1POLBPDE7AMAPTLMNA
SCHEMBL14021283 0.76 ALDH1A1 (0.50) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL2015323 0.76 ALDH1A1 (0.57) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL29618194 0.75 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL19205982 0.75 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL588926 0.75 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL28664477 0.75 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPTHTT
SCHEMBL19461598 0.73 PDE7A (0.49) ALDH1A1POLBPDE7AMAPTHTT

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 2072/4885POLB 1142/4885PDE7A 1506/4885

“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.