SCHEMBL4584463

SCHEMBL4584463

O=C(O)N(CCOc1ccc(I)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4584459 1.00 KCNH2 (0.49) KCNH2ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4583955 0.85 KMT2A (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4583951 0.85 KMT2A (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4585449 0.84 MEN1 (0.57) LMNAMEN1KMT2A
SCHEMBL4585446 0.84 MEN1 (0.57) LMNAMEN1KMT2A
SCHEMBL1680543 0.79 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2GAAMAPT
SCHEMBL1989446 0.77 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2GAAMAPT
SCHEMBL4585162 0.76 MEN1 (0.50) MEN1KMT2A
SCHEMBL4585166 0.76 MEN1 (0.50) MEN1KMT2A
SCHEMBL4585246 0.75 DRD2 (0.53) KCNH2ALDH1A1ACHESLC6A4MAPT

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 KCNH2 172/4885ALDH1A1 1621/4885LMNA 3579/4885

“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.