SCHEMBL3277754

SCHEMBL3277754

N#Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.80
ALDH1A1 P00352 7/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
HPGD P15428 6/20 0.78
RAB9A P51151 6/20 0.78
NPC1 O15118 5/20 0.78
KDM4E B2RXH2 5/20 0.78
THRB P10828 2/20 0.78
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
MAPT P10636 4/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 2/20 0.72
ALOX15 P16050 2/20 0.72
HSD17B10 Q99714 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
RECQL P46063 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
GAA P10253 2/20 0.64
GLA P06280 1/20 0.64

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
SCHEMBL3285846 0.89 MAPK10 (0.78) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3279062 0.89 MAPK10 (0.78) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3278709 0.89 MAPK10 (0.78) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3285673 0.89 MAPK10 (0.78) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3285611 0.89 MAPK10 (1.00) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL14580981 0.88 ALDH1A1 (1.00) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3277880 0.87 SMN1; SMN2 (0.77) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3279220 0.87 MAPK10 (0.91) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL15281388 0.86 RAB9A (1.00) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL15426133 0.85 ALDH1A1 (0.93) MAPK10ALDH1A1SMN1; SMN2HPGDRAB9A

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 MAPK10 132/4885ALDH1A1 1944/4885SMN1; SMN2 4264/4885

“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.