SCHEMBL19348145

SCHEMBL19348145

O=C(NCc1ccc(F)cc1)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1CCO[C@@H]1C2

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC22A2 O15244 5/20 0.42
CYP3A4 P08684 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TP53 P04637 2/20 0.41
SGMS2 Q8NHU3 1/20 0.40
KLKB1 P03952 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM4 P08173 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL80589 1.00 LMNA (0.47) LMNAMAPTL3MBTL1SLC22A2CYP3A4
SCHEMBL19293326 0.96 LMNA (0.46) LMNAMAPTL3MBTL1SLC22A2CYP3A4
SCHEMBL21120642 0.87 SLC22A2 (0.54) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82203 0.85 SLC22A2 (0.49) LMNAMAPTL3MBTL1SLC22A2CYP3A4
SCHEMBL17005327 0.85 LMNA (0.48) LMNAMAPTL3MBTL1TP53SGMS2
SCHEMBL86291 0.85 MAPT (0.48) LMNAMAPTL3MBTL1SLC22A2SGMS2
SCHEMBL82785 0.84 LMNA (0.46) LMNAMAPTL3MBTL1SLC22A2CYP3A4
SCHEMBL13601049 0.84 LMNA (0.47) LMNAMAPTL3MBTL1TP53SGMS2
SCHEMBL81251 0.84 SLC22A2 (0.57) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL12264357 0.83 SLC22A2 (0.44) MAPTSLC22A2CYP3A4TMEM97ABCG2

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-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-21 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-20170267693-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.