SCHEMBL4795136

SCHEMBL4795136

CC(=O)Nc1cc(Br)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.52
MAPK14 Q16539 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
JAK3 P52333 1/20 0.45
MELK Q14680 1/20 0.45
FTO Q9C0B1 1/20 0.43
PIK3CD O00329 3/20 0.43
PIM1 P11309 2/20 0.43
PIK3CB P42338 2/20 0.43
GSK3B P49841 2/20 0.43
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.42
ASH1L Q9NR48 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
BTK Q06187 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4793555 0.82 HPGDS (0.49) HPGDSPIK3C3JAK3MELKFTO
SCHEMBL3929164 0.82 PIK3CD (0.58) HPGDSPIK3C3JAK3MELKPIK3CD
SCHEMBL4798306 0.81 PIP4K2A (0.63) HPGDSMAPK14FTOPIK3CDPIK3CB
SCHEMBL4793945 0.81 HPGDS (0.47) HPGDSMAPK14PIK3C3JAK3MELK
SCHEMBL4793977 0.81 HPGDS (0.47) HPGDSMAPK14PIK3C3JAK3MELK
SCHEMBL3928845 0.80 HPGDS (0.57) HPGDSPIK3C3JAK3MELKPIK3CD
SCHEMBL3929354 0.80 HPGDS (0.52) HPGDSPIK3C3JAK3MELKPIK3CD
SCHEMBL4796087 0.80 HPGDS (0.47) HPGDSPIK3C3JAK3MELKPIK3CD
SCHEMBL3930098 0.78 HPGDS (0.55) HPGDSPIK3C3JAK3MELKPIK3CD
SCHEMBL4794592 0.78 HPGDS (0.48) HPGDSPIK3C3JAK3MELKFTO

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885MAPK14 3831/4885PIK3C3 3695/4885

“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.