SCHEMBL5046744

SCHEMBL5046744

C=CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTPN7 P35236 1/20 0.41
RAB9A P51151 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 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
SCHEMBL82448 0.92 LMNA (0.51) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL12993214 0.89 LMNA (0.48) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL16345860 0.89 KCNA5 (0.47) LMNAMAPTL3MBTL1KMT2ASGMS2
SCHEMBL12993217 0.85 LMNA (0.57) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL80592 0.84 LMNA (0.52) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL16374981 0.81 KCNA5 (0.46) LMNAMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL20483982 0.81 KCNA5 (0.48) LMNAMAPTL3MBTL1KMT2ASGMS2
SCHEMBL12993300 0.81 LMNA (0.57) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL19220986 0.81 LMNA (0.54) LMNAMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL12993194 0.81 HPGD (0.44) LMNAL3MBTL1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
EP-3187225-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2022-01-05 EP disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
EP-3284520-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2019-06-05 EP disclosed
EP-3372281-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2018-09-12 EP disclosed
EP-3045206-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2018-03-28 EP disclosed
EP-3284520-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2018-02-21 EP disclosed
EP-3284519-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2018-02-21 EP disclosed
EP-3187225-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2017-07-05 EP disclosed
EP-3187226-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2017-07-05 EP disclosed
US-20160304535-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2016-10-20 US disclosed
EP-3045206-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2016-07-20 EP disclosed
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2016-05-19 US disclosed
EP-2527007-B1 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity VIIV HEALTHCARE CO (US) 2016-03-30 EP disclosed
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
EP-1874117-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2013-08-28 EP disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP 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 (3 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-20160304535-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NCOA1, NCOR1, NR1I2 LMNA 4454/4885MAPT 4044/4885L3MBTL1 1500/4885
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 LMNA 2002/4885MAPT 2167/4885L3MBTL1 4063/4885
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS NR4A1, NR4A2, NR4A3 LMNA 4792/4885MAPT 4536/4885L3MBTL1 1139/4885

“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.