SCHEMBL92953

SCHEMBL92953

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N[C@H]1CCCC[C@H]1COCC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 4/20 0.48
LMNA P02545 1/20 0.42
SLC22A2 O15244 7/20 0.40
CYP3A4 P08684 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL93001 0.89 SLC22A2 (0.54) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL10283453 0.84 POU2F2 (0.51) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL10284205 0.79 SLC22A2 (0.54) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL93003 0.78 SLC22A2 (0.50) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL10283789 0.76 SLC22A2 (0.56) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL93037 0.76 SLC22A2 (0.56) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL93038 0.76 SLC22A2 (0.59) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL23654610 0.75 LMNA (0.44) LMNASLC22A2CYP3A4TMEM97ABCG2
SCHEMBL93099 0.74 SLC22A2 (0.56) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL93018 0.74 SLC22A2 (0.54) POU2F2SLC22A2CYP3A4TMEM97ABCG2

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-20170224695-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 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-20170224695-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NCOA4, NR4A1, NR4A2 POU2F2 666/4885LMNA 4744/4885SLC22A2 3012/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 POU2F2 606/4885LMNA 4751/4885SLC22A2 2976/4885

“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.