SCHEMBL22402313

SCHEMBL22402313

CCCCNC(=O)c1ccc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)[n+](O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FOLH1 Q04609 4/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL22390126 0.88 LMNA (0.42) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL22402305 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL22402322 0.80 NAAA (0.45) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL22402304 0.80 NAAA (0.45) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL30725524 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL22390138 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL28431822 0.77 KDM4E (0.46) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL22390142 0.75 NAAA (0.44) SMN1; SMN2LMNAALDH1A1MAPTNAAA
SCHEMBL22390149 0.75 NAAA (0.44) SMN1; SMN2LMNAALDH1A1MAPTNAAA
SCHEMBL30725523 0.75 NAAA (0.44) SMN1; SMN2LMNAALDH1A1MAPTNAAA

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-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2020-09-10 — — 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-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF SCLY, SFXN1, PTCD3 SMN1; SMN2 1716/4885LMNA 2040/4885MAPK1 2906/4885

“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.

Send feedback