SCHEMBL7795657

SCHEMBL7795657

Nc1cc(-c2ccccc2[N+](=O)[O-])ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 3/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HSP90AA1 P07900 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.46
ADORA1 P30542 1/20 0.45

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
SCHEMBL27685661 0.82 GAA (0.66) ALDH1A1TDP1MAPTGAATHRB
SCHEMBL11633060 0.81 TDP1 (0.54) ALDH1A1TDP1MAPTGAAMEN1
SCHEMBL28343138 0.79 ALDH1A1 (0.69) ALDH1A1TDP1MAPTGAATHRB
SCHEMBL7245897 0.79 ALDH1A1 (0.65) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL27864754 0.78 TDP1 (0.64) ALDH1A1TDP1MAPTGAATHRB
SCHEMBL15811368 0.78 TDP1 (0.50) ALDH1A1TDP1MAPTGAAMEN1
SCHEMBL14302439 0.78 ALOX15 (0.51) ALDH1A1TDP1MAPTGAATHRB
SCHEMBL17263732 0.77 ALDH1A1 (0.67) ALDH1A1TDP1MAPTGAATHRB
SCHEMBL17420851 0.77 ALDH1A1 (0.61) ALDH1A1TDP1MAPTGAAMEN1
SCHEMBL10712973 0.76 ALDH1A1 (0.71) ALDH1A1TDP1MAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010004779-A1 Novel p-aminophenol derivatives and the use thereof ROSE DAVID (DE) 2001-06-28 US disclosed
CN-1282317-A Novel P-aminophenol derivatives and use thereof HENKEL KGAA (DE) 2001-01-31 CN disclosed
EP-1044185-A2 NEW DERIVATIVES OF P-AMINOPHENOL AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP disclosed
WO-1999031054-A2 NOVEL P-AMINOPHENOL DERIVATIVES AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-24 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-20010004779-A1 Novel p-aminophenol derivatives and the use thereof KRT18, S100P, CKAP4 ALDH1A1 1269/4885TDP1 2468/4885MAPT 369/4885

“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.