SCHEMBL5550189

SCHEMBL5550189

CC(=O)Nc1nc(C=Cc2ccc(C=C(C)C(=O)O)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 4/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
NPC1 O15118 5/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 4/20 0.40
STAT1 P42224 1/20 0.39
TYR P14679 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL5550188 1.00 KDM4E (0.54) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL972621 0.85 KDM4E (0.52) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL972620 0.85 KDM4E (0.52) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL3939082 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL3939083 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL3939079 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL971939 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL971938 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL974413 0.84 KDM4E (0.56) KDM4EHSD17B10MAPTL3MBTL1ABL1
SCHEMBL974414 0.84 KDM4E (0.56) KDM4EHSD17B10MAPTL3MBTL1ABL1

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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA KDM4E 3784/4885HSD17B10 2150/4885MAPT 163/4885

“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.