SCHEMBL3280320

SCHEMBL3280320

Cc1c(Br)c(C(F)(F)F)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
ALDH1A1 P00352 10/20 0.60
HPGD P15428 8/20 0.60
LMNA P02545 5/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 8/20 0.57
THRB P10828 2/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
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
SCHEMBL3280495 0.90 ALDH1A1 (0.73) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3279956 0.86 MAPT (0.61) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3280341 0.86 ALDH1A1 (0.73) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3279352 0.83 POLB (0.62) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3283020 0.81 POLB (0.61) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3280415 0.77 POLB (0.61) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3278490 0.75 ALDH1A1 (0.73) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL3279706 0.73 ALDH1A1 (0.67) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL14581045 0.72 GCGR (0.63) POLBUSP2ALDH1A1HPGDLMNA
SCHEMBL2649089 0.72 POLB (0.66) POLBUSP2ALDH1A1HPGDLMNA

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 4014/4885ALDH1A1 1944/4885

“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.