SCHEMBL3279743

SCHEMBL3279743

N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
MAPT P10636 8/20 0.69
HTT P42858 2/20 0.69
SMN1; SMN2 Q16637 7/20 0.64
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
HPGD P15428 6/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
KDM4E B2RXH2 5/20 0.64
MAPK10 P53779 3/20 0.61
POLB P06746 3/20 0.60
THRB P10828 1/20 0.60
BRAF P15056 1/20 0.58
LMNA P02545 4/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3282264 0.83 MAPK10 (0.72) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL4232208 0.83 FLT3 (0.68) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3278375 0.82 MAPK10 (0.66) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3279111 0.82 HPGD (0.70) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3285673 0.81 MAPK10 (0.78) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3279376 0.80 HPGD (0.67) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3278012 0.80 ALDH1A1 (0.70) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3285926 0.79 NPC1 (0.75) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3279132 0.78 MAPK10 (0.77) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23200285 0.78 ALDH1A1 (0.67) ALDH1A1MAPTHTTSMN1; SMN2NPC1

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 1944/4885MAPT 3866/4885HTT 4469/4885

“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.