SCHEMBL1150992

SCHEMBL1150992

CN(C)C(=O)C(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
KCNH2 Q12809 1/20 0.49
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPG Q9Y5X9 2/20 0.38
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
GAA P10253 1/20 0.37
CALCA P06881 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5764975 1.00 CYP2C9 (0.55) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL13114611 0.90 CYP2C9 (0.53) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1150809 0.90 CYP2C9 (0.53) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1150873 0.90 CYP2C9 (0.53) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL5764090 0.90 KCNH2 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1150490 0.90 KCNH2 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL6701849 0.90 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1150414 0.88 KCNH2 (0.51) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1150527 0.87 CYP2C9 (0.62) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1149987 0.87 CYP2C9 (0.62) CYP2C9KCNH2KCNE1CCR1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US claimed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US claimed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US claimed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US claimed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP claimed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US claimed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-7217713-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-15 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2006-11-16 US disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI CYP2C9 505/4885KCNH2 3623/4885KCNE1 3603/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI CYP2C9 505/4885KCNH2 3623/4885KCNE1 3603/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 CYP2C9 528/4885KCNH2 4004/4885KCNE1 4152/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 CYP2C9 626/4885KCNH2 3758/4885KCNE1 3802/4885

“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.