SCHEMBL4989664

SCHEMBL4989664

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCCCN2CCOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
JAK2 O60674 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
TACR2 P21452 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4991683 0.90 ALDH1A1 (0.38) MAPTGAALMNAALDH1A1KMT2A
SCHEMBL4984749 0.87 RAB9A (0.41) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4875810 0.86 LMNA (0.46) MAPTGAALMNAALDH1A1JAK2
SCHEMBL4986159 0.86 AOC3 (0.37)
SCHEMBL4875746 0.85 GHSR (0.36)
SCHEMBL4982416 0.85 AOC3 (0.35) MAPT
SCHEMBL4984472 0.84 ALDH1A1 (0.34) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL4989625 0.84 AOC3 (0.34) MAPT
SCHEMBL4991656 0.84 AOC3 (0.40) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4989671 0.84 LMNA (0.40) MAPTGAALMNAALDH1A1JAK2

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB MAPT 430/4885GAA 1570/4885LMNA 3334/4885

“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.