SCHEMBL416491

SCHEMBL416491

Cc1nnc(-c2ccc(OCc3ccccc3)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 10/20 0.56
IKBKE Q14164 1/20 0.51
DHODH Q02127 3/20 0.49
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
GSTP1 P09211 1/20 0.48
MAOB P27338 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
SCHEMBL419538 0.80 DHODH (0.45) DHODHNPC1POLBRAB9AGSTP1
SCHEMBL416396 0.77 RAB9A (0.57) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL416435 0.77 POLB (0.60) NPC1POLBRAB9ASMN1; SMN2GAA
SCHEMBL197017 0.75 LMNA (0.72) ENPP3ENPP1MEN1NPC1POLB
SCHEMBL30312204 0.75 PRMT5 (0.51) PRMT5IKBKEDHODHMEN1NPC1
SCHEMBL6957526 0.75 PRMT5 (0.51) PRMT5IKBKEDHODHMEN1NPC1
SCHEMBL10128671 0.74 LMNA (0.60) IKBKEENPP3ENPP1RAB9ASMN1; SMN2
SCHEMBL23483029 0.73 LMNA (0.69) ENPP3ENPP1MEN1NPC1POLB
SCHEMBL1096817 0.73 LMNA (0.69) ENPP3ENPP1MEN1NPC1POLB
SCHEMBL339813 0.73 LMNA (0.82) RAB9ASMN1; SMN2GAAGSTP1MAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US 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 (2 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 PRMT5 227/4885IKBKE 1984/4885DHODH 4571/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 PRMT5 227/4885IKBKE 1984/4885DHODH 4571/4885

“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.