SCHEMBL2279443

SCHEMBL2279443

O=Cc1c(OCc2ccccc2)c(=O)ccn1CCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TEAD3 Q99594 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK14 Q16539 3/20 0.37

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
SCHEMBL3357548 0.93 HTT (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30982820 0.85 HTT (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30982659 0.85 HTT (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30982466 0.85 HTT (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3355462 0.84 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3355255 0.84 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL2270758 0.83 HTT (0.68) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL2279184 0.81 SMN1; SMN2 (0.49) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3361358 0.77 HTT (0.46) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL10402472 0.76 MEN1 (0.65) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 — — 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-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP HTT 410/4885SMN1; SMN2 2492/4885MEN1 575/4885

“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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