SCHEMBL3279956

SCHEMBL3279956

Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCC(C(C)(C)C)C2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
ALDH1A1 P00352 9/20 0.61
HPGD P15428 8/20 0.61
POLB P06746 4/20 0.61
LMNA P02545 4/20 0.61
USP2 O75604 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3283020 0.87 POLB (0.61) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3280320 0.86 POLB (0.61) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3285724 0.85 ALDH1A1 (0.79) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3280415 0.83 POLB (0.61) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3279352 0.77 POLB (0.62) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3280495 0.76 ALDH1A1 (0.73) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3922647 0.74 MAPT (0.59) MAPTALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3914074 0.73 CYP1A2 (0.54) MAPTALDH1A1HPGDPOLBUSP2
SCHEMBL3278975 0.71 ALDH1A1 (0.78) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL3280341 0.71 ALDH1A1 (0.73) MAPTALDH1A1HPGDPOLBLMNA

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 3866/4885ALDH1A1 1944/4885HPGD 1603/4885

“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.