SCHEMBL2188271

SCHEMBL2188271

Cc1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
CNR2 P34972 1/20 0.46
PTGER4 P35408 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL14138214 0.86 SMN1; SMN2 (0.52) SMN1; SMN2HTTRXFP1KDM4EALDH1A1
SCHEMBL2186229 0.83 MAPT (0.50) SMN1; SMN2HTTRXFP1KDM4EALDH1A1
SCHEMBL12697371 0.76 KMT2A (0.66) SMN1; SMN2HTTKDM4EALDH1A1KMT2A
SCHEMBL16333844 0.74 PTGER4 (0.50) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL16334299 0.74 HDAC1 (0.51) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL12444474 0.74 MAPT (0.48) SMN1; SMN2HTTRXFP1KDM4EALDH1A1
SCHEMBL12697314 0.74 KMT2A (0.59) SMN1; SMN2HTTHPGDKMT2ACYP1A2
SCHEMBL15726043 0.74 KMT2A (0.52) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL6722951 0.74 KMT2A (0.63) SMN1; SMN2HTTKDM4EALDH1A1KMT2A
SCHEMBL12697363 0.73 KMT2A (0.71) SMN1; SMN2HTTKDM4EALDH1A1KMT2A

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 30 patents — showing the first 20. 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-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-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
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
CN-101014572-B Carbamoyl pyridone derivatives having HIV integrase inhibitory activity SHIONOGI & CO 2011-07-06 CN 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
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
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
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 US disclosed
CN-101014572-A Carbamoyl pyridone derivatives having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2007-08-08 CN disclosed
EP-1790638-A1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2007-05-30 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 SMN1; SMN2 3082/4885HTT 3053/4885RXFP1 2165/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 SMN1; SMN2 3622/4885HTT 3057/4885RXFP1 4666/4885
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase CDKL4, CDKL5, CDKL1 SMN1; SMN2 3709/4885HTT 3461/4885RXFP1 3501/4885

“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.