SCHEMBL5058245

SCHEMBL5058245

O=C(CN1CCN2CCN3CCN(CC1)C23)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2C19 P33261 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL24251635 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL15776693 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL5548988 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL25419509 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL25001507 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL3569051 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL24027122 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL1127697 0.84 PPARG (0.58) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL17921387 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A
SCHEMBL14446963 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124270-A1 Compounds Useful as Metal Chelators BRACCO IMAGING S.P.A. (IT) 2008-05-29 — — US disclosed
US-20080124270-A1 Compounds Useful as Metal Chelators BRACCO IMAGING S.P.A. (IT) 2008-05-29 — — US disclosed
US-20080124270-A1 Compounds Useful as Metal Chelators BRACCO IMAGING S.P.A. (IT) 2008-05-29 — — US disclosed
EP-1699466-A2 NEW COMPOUNDS USEFUL AS METAL CHELATORS Bracco Imaging, S.P.A. (IT) 2006-09-13 — — EP disclosed
WO-2005062828-A2 NEW COMPOUNDS USEFUL AS METAL CHELATORS BRACCO IMAGING S.P.A. (IT) 2005-07-14 — — 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-20080124270-A1 Compounds Useful as Metal Chelators PAICS, PHOSPHO1, PPIP5K2 ALDH1A1 4035/4885SMN1; SMN2 3701/4885MAPK1 3967/4885

“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.

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