SCHEMBL3279712

SCHEMBL3279712

CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
MAPK10 P53779 3/20 0.63
RAB9A P51151 8/20 0.62
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
NPC1 O15118 6/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 5/20 0.62
THRB P10828 2/20 0.62
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 3/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL3282558 0.84 TP53 (0.73) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3279693 0.81 FLT3 (0.69) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3279561 0.80 MAPT (0.80) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3284661 0.79 NPC1 (0.72) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL31074962 0.78 NPC1 (0.74) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3279062 0.78 MAPK10 (0.78) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3285846 0.78 MAPK10 (0.78) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3285611 0.78 MAPK10 (1.00) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3277754 0.77 MAPK10 (0.80) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2
SCHEMBL14580981 0.77 ALDH1A1 (1.00) MAPTMAPK10RAB9AALDH1A1SMN1; SMN2

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 MAPT 3866/4885MAPK10 132/4885RAB9A 714/4885

“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.