SCHEMBL3278375

SCHEMBL3278375

N#Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.66
ALDH1A1 P00352 9/20 0.65
RAB9A P51151 8/20 0.65
HPGD P15428 8/20 0.65
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
KDM4E B2RXH2 5/20 0.65
THRB P10828 1/20 0.65
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 7/20 0.62
HSD17B10 Q99714 3/20 0.62
ALOX15 P16050 2/20 0.62
TP53 P04637 2/20 0.62
USP2 O75604 1/20 0.62
HTT P42858 1/20 0.61
LMNA P02545 2/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL3279111 0.91 HPGD (0.70) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3282264 0.90 MAPK10 (0.72) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3279743 0.82 ALDH1A1 (0.69) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3279376 0.82 HPGD (0.67) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3279693 0.81 FLT3 (0.69) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3285611 0.80 MAPK10 (1.00) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL15281317 0.79 RAB9A (0.98) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3278012 0.79 ALDH1A1 (0.70) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL14580981 0.79 ALDH1A1 (1.00) MAPK10ALDH1A1RAB9AHPGDNPC1
SCHEMBL3277754 0.79 MAPK10 (0.80) MAPK10ALDH1A1RAB9AHPGDNPC1

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 1944/4885RAB9A 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.