SCHEMBL6798367

SCHEMBL6798367

Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
MYC P01106 1/20 0.51
MAX P61244 1/20 0.51
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EIF4E P06730 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PAX8 Q06710 1/20 0.48
RAB9A P51151 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL6536346 0.91 MYC (0.56) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL5696813 0.88 ALDH1A1 (0.54) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL14099588 0.88 ACHE (0.50) ALDH1A1MAPTKMT2AACHEHSD17B10
SCHEMBL6641665 0.86 MYC (0.66) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL3824237 0.85 EIF4E (0.53) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL3824233 0.85 EIF4E (0.53) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL6804809 0.84 CYP46A1 (0.55) ALDH1A1MAPTKMT2AACHEHSD17B10
SCHEMBL679262 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL6342762 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMYCMAXKMT2A
SCHEMBL6425009 0.83 EIF4E (0.56) ALDH1A1MAPTMYCMAXKMT2A

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 ALDH1A1 2901/4885MAPT 4047/4885MYC 4037/4885

“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.