SCHEMBL22402307

SCHEMBL22402307

CC(C)(C)NC(=O)c1cc[n+](O)c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GFER P55789 1/20 0.34
KDM1A O60341 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SLC6A9 P48067 1/20 0.33

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
SCHEMBL22390141 0.88 ALDH1A1 (0.43) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL30725487 0.88 ALDH1A1 (0.43) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL22402305 0.81 SMN1; SMN2 (0.45) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL22402365 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APRMT5WDR77
SCHEMBL22402322 0.80 NAAA (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL22402304 0.80 NAAA (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL28432656 0.78 KDM5C (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL22402357 0.77 CA12 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL22402306 0.76 ESR1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL22402317 0.75 MEN1 (0.35) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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 2634/4885LMNA 2040/4885GAA 1570/4885

“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.