SCHEMBL402945

SCHEMBL402945

[CH]c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HIF1A Q16665 1/20 0.62
VCAM1 P19320 1/20 0.58
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 6/20 0.45
HTT P42858 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESPL1 Q14674 1/20 0.40
CASP6 P55212 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL394329 0.79 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL29462663 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL11579276 0.78 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL102780 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL29580152 0.77 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL306375 0.77 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL35276 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL29349904 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1TDP1ATM
Hydrogen Sulfide SCHEMBL21810723 0.77 ATM (0.67) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL27715742 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1TDP1ATM

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-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 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-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885HIF1A 2668/4885VCAM1 3142/4885

“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.