SCHEMBL3280495

SCHEMBL3280495

Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCC(C)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.73
LMNA P02545 4/20 0.73
HPGD P15428 3/20 0.73
GAA P10253 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
TSHR P16473 2/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL3280320 0.90 POLB (0.61) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL3280341 0.87 ALDH1A1 (0.73) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL3279706 0.82 ALDH1A1 (0.67) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL3278490 0.77 ALDH1A1 (0.73) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL3279956 0.76 MAPT (0.61) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL5804059 0.74 ALDH1A1 (0.69) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL5804058 0.74 ALDH1A1 (0.69) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL3279352 0.73 POLB (0.62) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL8288774 0.72 GRM1 (0.66) ALDH1A1HPGDGAATSHRMAPT
SCHEMBL4141384 0.71 GRM1 (0.65) ALDH1A1HPGDGAATSHRMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC ALDH1A1 1944/4885LMNA 2227/4885HPGD 1603/4885

“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.