SCHEMBL2187124

SCHEMBL2187124

COc1c(C=O)ncc(C(=O)NCc2ccc(F)cc2)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SGMS2 Q8NHU3 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR2 P34972 1/20 0.44
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL82126 0.88 LMNA (0.59) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2186250 0.87 LMNA (0.60) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2187010 0.86 LMNA (0.59) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2187651 0.86 LMNA (0.59) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL8981574 0.85 CNR2 (0.52) MAPTHPGDRXFP1CNR2THRB
SCHEMBL2187912 0.85 MAPT (0.58) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL13793202 0.84 LMNA (0.57) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL15707867 0.81 LMNA (0.76) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL15708143 0.79 LMNA (0.70) LMNAMAPTL3MBTL1HPGDALDH1A1
SCHEMBL15726034 0.78 LMNA (0.72) LMNAMAPTL3MBTL1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
EP-1790638-B1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-04-03 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
EP-1852434-B1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY SHIONOGI & CO (JP) 2011-07-13 EP disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-7550463-B2 Carbamoylpyridone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2009-06-23 US disclosed
US-7550463-B2 Carbamoylpyridone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2009-06-23 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 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 (4 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 LMNA 4549/4885MAPT 4715/4885L3MBTL1 1220/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 LMNA 2218/4885MAPT 2144/4885L3MBTL1 683/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 LMNA 969/4885MAPT 4110/4885L3MBTL1 548/4885
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase CDKL4, CDKL5, CDKL1 LMNA 4066/4885MAPT 4514/4885L3MBTL1 1339/4885

“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.