SCHEMBL20258209

SCHEMBL20258209

COc1ccc([N+](=O)[O-])cc1OCCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HPGD P15428 3/20 0.61
CYP2D6 P10635 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 4/20 0.58
LMNA P02545 4/20 0.58
MAPK1 P28482 1/20 0.57
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL6431028 0.85 MAPT (0.59) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL5704650 0.85 CYP19A1 (0.63) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL20258221 0.84 MAPK1 (0.55) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL7004393 0.84 MAPT (0.56) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL1157681 0.84 CYP19A1 (0.62) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL21295374 0.84 MAPT (0.52) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL30744023 0.84 MAPT (0.52) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL15967944 0.83 MAPT (0.55) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL10801307 0.83 NPC1 (0.57) MAPTSMN1; SMN2HPGDCYP2D6NPC1
SCHEMBL7416033 0.82 CYP19A1 (0.59) MAPTSMN1; SMN2HPGDCYP2D6NPC1

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-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 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-10000452-B1 Quinolone-based compounds, formulations, and uses thereof RECQL, NQO1, NQO2 MAPT 1177/4885SMN1; SMN2 3435/4885HPGD 408/4885

“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.