SCHEMBL22402365

SCHEMBL22402365

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cc(C(=O)NCc3ccccc3)cc[n+]2O)CCN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
PRKAA2 P54646 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
MDM2 Q00987 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL22390121 0.88 ALDH1A1 (0.49) ALDH1A1APOBEC3ACTDSP1APOBEC3GMEN1
SCHEMBL30725546 0.88 ALDH1A1 (0.49) ALDH1A1APOBEC3ACTDSP1APOBEC3GMEN1
SCHEMBL22402305 0.82 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AHPGD
SCHEMBL22402308 0.81 KMT2A (0.45) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL22402322 0.80 NAAA (0.45) ALDH1A1MEN1KMT2AHTR1ACA2
SCHEMBL22402304 0.80 NAAA (0.45) ALDH1A1MEN1KMT2AHTR1ACA2
SCHEMBL22402307 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APRMT5WDR77
SCHEMBL28438368 0.79 LMNA (0.52) ALDH1A1MEN1KMT2APRMT5WDR77
SCHEMBL22402357 0.73 CA12 (0.37) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL9283102 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPSR1PRKAA2

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 ALDH1A1 2634/4885APOBEC3A 4292/4885CTDSP1 2349/4885

“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.