SCHEMBL19214232

SCHEMBL19214232

CCC(=O)N1CCN2C(=O)c3c(OCc4ccccc4)c(=O)c(C(=O)NCc4ccc(F)cc4)cn3CC12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A2 O15244 4/20 0.38
SGMS2 Q8NHU3 1/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP3A4 P08684 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL13601051 0.92 LMNA (0.46) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL13601059 0.87 LMNA (0.44) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL13601048 0.86 LMNA (0.44) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL22584735 0.83 LMNA (0.43) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL17527318 0.83 MAPT (0.44) LMNAMAPTL3MBTL1ALDH1A1SLC22A2
SCHEMBL81821 0.83 MAPT (0.44) LMNAMAPTL3MBTL1ALDH1A1SLC22A2
SCHEMBL19327627 0.83 MAPT (0.44) LMNAMAPTL3MBTL1ALDH1A1SLC22A2
SCHEMBL82363 0.83 LMNA (0.45) LMNAMAPTL3MBTL1SLC22A2SGMS2
SCHEMBL93096 0.82 CNR2 (0.42) HPGDSLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19334684 0.82 LMNA (0.43) LMNAMAPTL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224694-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 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-20170224694-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 LMNA 4751/4885MAPT 4441/4885L3MBTL1 858/4885

“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.