SCHEMBL938798

SCHEMBL938798

CC(C)(C)OC(=O)NCCCC(NCCN(C[C@H](O)[C@H](O)CO)C[C@H](O)[C@H](O)CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.39
SLC22A1 O15245 1/20 0.39
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 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
SCHEMBL6491658 0.75 MEN1 (0.61) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL6494079 0.75 MEN1 (0.61) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL6500581 0.75 MEN1 (0.61) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL938796 0.74 TDP1 (0.40) MEN1KMT2AGAANPSR1TDP1
SCHEMBL25943020 0.73 AKT1 (0.46) CTSKCTSSCKS1BSKP1SKP2
SCHEMBL25496781 0.72 MEN1 (0.56) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL25943024 0.72 TDP1 (0.44) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL938794 0.71 CTSK (0.33) CTSKCTSSGPR88
SCHEMBL2334375 0.71 CA1 (0.48) TDP1
SCHEMBL7344378 0.71 MEN1 (0.62) MEN1KMT2AGAAMAPTNPSR1

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-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G MEN1 2258/4885KMT2A 1747/4885GAA 3638/4885

“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.