SCHEMBL6798689

SCHEMBL6798689

O=C(O)c1cccc([N+](=O)[O-])c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
AKR1C1 Q04828 2/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
EIF4E P06730 3/20 0.49
P2RX1 P51575 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TTR P02766 2/20 0.43
PPOX P50336 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL6798068 0.84 P2RX1 (0.46) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL593074 0.84 TSHR (0.60) MAPTTSHRMEN1KMT2ATDP1
SCHEMBL9189144 0.81 TSHR (0.54) MAPTTSHRMEN1KMT2ATDP1
SCHEMBL6800263 0.81 TSHR (0.62) MAPTLMNATSHREIF4EMEN1
SCHEMBL8473657 0.81 TSHR (0.54) MAPTTSHREIF4EMEN1KMT2A
SCHEMBL8610738 0.80 TSHR (0.68) MAPTTSHRMEN1KMT2ATDP1
SCHEMBL29471725 0.80 TSHR (0.68) MAPTTSHRMEN1KMT2ATDP1
SCHEMBL6704877 0.78 TTR (0.53) P2RX1TTRKDM4EALDH1A1FABP4
SCHEMBL6224986 0.77 AKR1B1 (0.51) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29979402 0.77 SMO (0.50) KDM4EALDH1A1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 AKR1B1 181/4885AKR1C4 596/4885AKR1C3 367/4885

“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.