SCHEMBL3279693

SCHEMBL3279693

COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.69
RAB9A P51151 6/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 5/20 0.67
KDM4E B2RXH2 5/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPK10 P53779 3/20 0.67
POLB P06746 3/20 0.66
MAPT P10636 3/20 0.66
TP53 P04637 2/20 0.66
ALOX15 P16050 2/20 0.66
HSD17B10 Q99714 2/20 0.66
THRB P10828 2/20 0.66
USP2 O75604 1/20 0.66
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL3280053 0.89 NPC1 (0.76) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3282558 0.88 TP53 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3284661 0.84 NPC1 (0.72) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3420626 0.84 ALDH1A1 (0.53) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31074962 0.84 NPC1 (0.74) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3424414 0.82 MEN1 (0.84) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3279062 0.81 MAPK10 (0.78) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3285846 0.81 MAPK10 (0.78) FLT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3279712 0.81 MAPT (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3285611 0.81 MAPK10 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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 FLT3 3990/4885RAB9A 714/4885NPC1 1204/4885

“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.