SCHEMBL939868

SCHEMBL939868

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
MLYCD O95822 2/20 0.54
MAPT P10636 2/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49
ESRRG P62508 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
TGM2 P21980 1/20 0.48

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
SCHEMBL16808347 0.91 MAPT (0.59) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL31471684 0.88 MAPT (0.56) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL938685 0.87 MAPT (0.53) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL13480435 0.86 MAPT (0.65) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL15092810 0.85 MAPT (0.64) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL13090607 0.85 MAPT (0.64) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL15679441 0.85 MAPT (0.64) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL20385193 0.85 MAPT (0.64) MAPTL3MBTL1HTTSYKSMN1; SMN2
SCHEMBL30605344 0.85 SIGMAR1 (0.51) MAPTL3MBTL1HTTSYKSIGMAR1
SCHEMBL2325792 0.84 MAPT (0.65) MAPTL3MBTL1HTTSYKSMN1; SMN2

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 HSP90AA1 3199/4885MLYCD 2455/4885MAPT 4399/4885

“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.