SCHEMBL4842408

SCHEMBL4842408

CCC1(CC)Cc2ccc(OC)cc2/C(=C/C(=O)c2cccc(C#N)c2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
P4HB P07237 1/20 0.45
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
ADAM17 P78536 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
VNN1 O95497 1/20 0.38
GRM5 P41594 1/20 0.38
TGM2 P21980 1/20 0.38
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4842421 1.00 KMT2A (0.48) KMT2AP4HBCDYL2CDYLCDY1; CDY1B
SCHEMBL4845790 0.90 KMT2A (0.41) KMT2AADAM17SCN5ASCN9AMEN1
SCHEMBL4845776 0.90 KMT2A (0.41) KMT2AADAM17SCN5ASCN9AMEN1
SCHEMBL4842877 0.88 KMT2A (0.50) KMT2AP4HBCDYL2CDYLCDY1; CDY1B
SCHEMBL4842870 0.88 KMT2A (0.50) KMT2AP4HBCDYL2CDYLCDY1; CDY1B
SCHEMBL4845645 0.86 KMT2A (0.46) KMT2ACDYL2CDYLCDY1; CDY1BADAM17
SCHEMBL4845639 0.86 KMT2A (0.46) KMT2ACDYL2CDYLCDY1; CDY1BADAM17
SCHEMBL4838299 0.84 P4HB (0.47) KMT2AP4HBCDYL2CDYLCDY1; CDY1B
SCHEMBL4841615 0.83 KMT2A (0.54) KMT2AMEN1HTTNPC1ALDH1A1
SCHEMBL4841603 0.83 KMT2A (0.54) KMT2AMEN1HTTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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 (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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KMT2A 4642/4885P4HB 2780/4885CDYL2 4477/4885

“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.