SCHEMBL4984749

SCHEMBL4984749

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)NCCCN2CCCC2=O)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TYRO3 Q06418 5/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RCE1 Q9Y256 1/20 0.38
NPC1 O15118 1/20 0.38
NAMPT P43490 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 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
SCHEMBL4989664 0.87 MAPT (0.42) ALDH1A1KMT2AMEN1MAPK1TSHR
SCHEMBL4876201 0.86 RAB9A (0.43) RAB9AALDH1A1KMT2AMEN1MAPK1
SCHEMBL4984472 0.85 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL4986159 0.85 AOC3 (0.37) RXFP1
SCHEMBL4875746 0.85 GHSR (0.36)
SCHEMBL4982416 0.84 AOC3 (0.35) RAB9A
SCHEMBL4984752 0.84 ALDH1A1 (0.39) RAB9AALDH1A1KMT2AMEN1MAPK1
SCHEMBL4989625 0.83 AOC3 (0.34) RAB9A
SCHEMBL4991683 0.83 ALDH1A1 (0.38) ALDH1A1KMT2AMAPK1TSHRNAMPT
SCHEMBL4992580 0.83 TBK1 (0.34) RAB9A

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 RAB9A 2149/4885ALDH1A1 927/4885KMT2A 4255/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 RAB9A 3012/4885ALDH1A1 260/4885KMT2A 3324/4885

“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.