SCHEMBL82592

SCHEMBL82592

Cc1ncc(Br)c(O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
THRA P10827 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10247058 0.84 PTPN1 (0.47) L3MBTL1LMNAHPGDCYP2C19CYP1A2
SCHEMBL4681950 0.82 L3MBTL1 (0.42) THRBTHRAL3MBTL1LMNAHPGD
SCHEMBL16347914 0.79 LMNA (0.40) THRBTHRALMNAHPGDCYP2C19
SCHEMBL19625792 0.78 MAPT (0.56) L3MBTL1LMNAHPGDCYP2C19MAPT
SCHEMBL31394454 0.78 KMT2A (0.44) THRBTHRAL3MBTL1LMNAHPGD
SCHEMBL79942 0.76 HPGD (0.56) L3MBTL1LMNAHPGDCYP2C19MAPT
SCHEMBL10247270 0.74 PTPN1 (0.49) L3MBTL1LMNAHPGDCYP1A2MAPT
SCHEMBL4149747 0.73 LMNA (0.48) L3MBTL1LMNAHPGDCYP2C19CYP1A2
SCHEMBL26043758 0.73 LMNA (0.46) L3MBTL1LMNAHPGDCYP2C19CYP1A2
SCHEMBL5664859 0.73 L3MBTL1 (0.44) L3MBTL1LMNAHPGDCYP2C19CYP1A2

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
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
US-11267823-B2 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) 2022-03-08 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-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
EP-3456721-B1 METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY SHIONOGI & CO (JP) 2021-02-24 EP disclosed
US-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity SHINOGI & CO., LTD. (JP) 2021-02-23 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 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
CN-101346376-A Polycyclic carbamoylpyridone derivative having inhibitory activity on HIV integrase SHIONOGI & CO (JP) 2009-01-14 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity DUT, DPYD, IMPDH1 THRB 4205/4885THRA 3896/4885L3MBTL1 3462/4885
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 THRB 2070/4885THRA 2673/4885L3MBTL1 1220/4885
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 THRB 4211/4885THRA 3953/4885L3MBTL1 4063/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 THRB 3733/4885THRA 4131/4885L3MBTL1 548/4885
US-11267823-B2 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 THRB 4194/4885THRA 3948/4885L3MBTL1 4075/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL THRB 4402/4885THRA 4244/4885L3MBTL1 3271/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 THRB 2517/4885THRA 2876/4885L3MBTL1 851/4885

“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.