SCHEMBL3280415

SCHEMBL3280415

Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCC(C(C)(C)C)C2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
USP2 O75604 1/20 0.61
MAPT P10636 10/20 0.57
ALDH1A1 P00352 10/20 0.55
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 2/20 0.55
THRB P10828 2/20 0.55
HTT P42858 2/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46
GCGR P47871 1/20 0.46

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
SCHEMBL3279352 0.85 POLB (0.62) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL3279858 0.85 ALDH1A1 (0.73) POLBMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3283020 0.85 POLB (0.61) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL3279956 0.83 MAPT (0.61) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL3280320 0.77 POLB (0.61) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL6437832 0.76 MAPT (0.70) POLBMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3279706 0.76 ALDH1A1 (0.67) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL3914875 0.75 ALDH1A1 (0.69) POLBUSP2MAPTALDH1A1HPGD
SCHEMBL3921497 0.72 ALDH1A1 (0.59) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2649089 0.71 POLB (0.66) POLBUSP2MAPTALDH1A1HPGD

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 POLB 831/4885USP2 4014/4885MAPT 3866/4885

“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.