SCHEMBL4991683

SCHEMBL4991683

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)NCCCC(=O)N2CCOCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.34
FKBP1A P62942 3/20 0.33
TSHR P16473 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AOC3 Q16853 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 2/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
USP28 Q96RU2 1/20 0.32
LMNA P02545 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL4984472 0.93 ALDH1A1 (0.34) ALDH1A1TSHRAOC3KMT2AMAPT
SCHEMBL4989664 0.90 MAPT (0.42) ALDH1A1TSHRMAPK1KMT2AMAPT
SCHEMBL4874627 0.87 ALDH1A1 (0.39) ALDH1A1NPSR1FKBP1ATSHRTAAR1
SCHEMBL4982416 0.86 AOC3 (0.35) AOC3MAPT
SCHEMBL4986159 0.84 AOC3 (0.37) AOC3
SCHEMBL4989625 0.84 AOC3 (0.34) AOC3MAPT
SCHEMBL4875746 0.84 GHSR (0.36) AOC3
SCHEMBL4991689 0.84 ALDH1A1 (0.36) ALDH1A1NPSR1FKBP1ATSHRTAAR1
SCHEMBL4992580 0.84 TBK1 (0.34) AOC3MAPT
SCHEMBL4982245 0.83 AOC3 (0.36) AOC3MAPT

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (2 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 ALDH1A1 927/4885NPSR1 3961/4885FKBP1A 2026/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885NPSR1 4477/4885FKBP1A 2551/4885

“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.