SCHEMBL3379925

SCHEMBL3379925

Nc1ccc([N+](=O)[O-])cc1C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
ACP3 P15309 1/20 0.46
TSHR P16473 1/20 0.44
MAP2K1 Q02750 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL11740225 0.84 ALDH1A1 (0.51) ALDH1A1GAATHRBMAPTACP3
SCHEMBL28493005 0.84 MAPT (0.49) ALDH1A1TDP1CYP3A4ALOX15GAA
SCHEMBL14744361 0.83 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6556910 0.83 LMNA (0.50) ALDH1A1CYP3A4GAAMEN1KMT2A
SCHEMBL8744236 0.81 CRHBP (0.52) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL10924875 0.81 PDE7A (0.47) ALDH1A1TDP1CYP3A4ALOX15GAA
SCHEMBL14744514 0.80 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL1813716 0.78 CA12 (0.58) ALDH1A1TDP1THRBMEN1KMT2A
SCHEMBL6244176 0.77 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15GAA
SCHEMBL9414517 0.77 ACP3 (0.62) ALDH1A1ALOX15MEN1KMT2AACP3

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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 ALDH1A1 1053/4885TDP1 4661/4885CYP3A4 152/4885

“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.