SCHEMBL22402308

SCHEMBL22402308

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cc(C(=O)OCc3ccccc3)cc[n+]2O)CCN(CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
JMJD6 Q6NYC1 1/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
PRMT1 Q99873 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL22390117 0.89 JMJD6 (0.43) KMT2ATDP1SLC6A2SLC6A3JMJD6
SCHEMBL30725512 0.89 JMJD6 (0.43) KMT2ATDP1SLC6A2SLC6A3JMJD6
SCHEMBL22402310 0.84 LMNA (0.45) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL22402306 0.83 ESR1 (0.41) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL22402312 0.82 ESR1 (0.44) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL22402325 0.82 ESR1 (0.44) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL22402365 0.81 ALDH1A1 (0.47) KMT2AALDH1A1MEN1HSD17B10RAB9A
SCHEMBL22402357 0.81 CA12 (0.37) KMT2AJMJD6ALDH1A1SMN1; SMN2MEN1
SCHEMBL28444103 0.80 JMJD6 (0.53) KMT2ATDP1SLC6A2SLC6A3JMJD6
SCHEMBL22390128 0.79 LMNA (0.44) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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 KMT2A 4490/4885TDP1 3839/4885SLC6A2 1391/4885

“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.