SCHEMBL5143370

SCHEMBL5143370

O=C(O)N(Cc1ccccc1)[C@@H](CO)CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NPBWR1 P48145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX5 P09917 2/20 0.37
REN P00797 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL5142745 1.00 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5142742 1.00 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4906707 0.88 MEN1 (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL17101833 0.85 POLB (0.43) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL9012916 0.81 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL1543705 0.81 TSHR (0.50) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL17101838 0.80 POLB (0.44) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL1642165 0.80 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL1024207 0.80 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL18341183 0.80 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 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-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 KMT2A 1488/4885MEN1 3150/4885LMNA 1750/4885

“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.