SCHEMBL5454466

SCHEMBL5454466

O=[N+]([O-])c1cc(I)ccc1NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL9395569 0.84 MAPT (0.72) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2465858 0.82 MAPT (0.75) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1038903 0.82 MAPT (0.67) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL594650 0.82 MAPT (0.61) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL102602 0.81 MAPT (0.77) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL992446 0.80 HCAR3 (0.68) MAPTMEN1KMT2ALMNARECQL
SCHEMBL5476899 0.80 MAPT (0.62) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL5951699 0.79 KMT2A (0.71) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1911607 0.79 MAPT (0.71) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2130528 0.79 MAPT (0.60) MAPTMEN1KMT2ALMNACYP1A2

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-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (2 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 MAPT 1693/4885MEN1 1655/4885KMT2A 171/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 MAPT 1693/4885MEN1 1655/4885KMT2A 171/4885

“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.