SCHEMBL3278490

SCHEMBL3278490

Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
HPGD P15428 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 1/20 0.56
ESR2 Q92731 6/20 0.56
RAB9A P51151 2/20 0.53
GRM1 Q13255 1/20 0.53
POLB P06746 3/20 0.53
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3280341 0.89 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3283027 0.81 ALDH1A1 (0.67) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3278975 0.77 ALDH1A1 (0.78) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3280495 0.77 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3285724 0.76 ALDH1A1 (0.79) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3280320 0.75 POLB (0.61) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL8288774 0.73 GRM1 (0.66) ALDH1A1HPGDGAAMAPTGRM1
SCHEMBL6248815 0.73 MEN1 (0.81) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL3279858 0.73 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL4141384 0.73 GRM1 (0.65) ALDH1A1HPGDGAAMAPTGRM1

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 1944/4885HPGD 1603/4885MEN1 1184/4885

“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.