SCHEMBL1150693

SCHEMBL1150693

NC(=NO)C1COCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
FKBP1A P62942 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1150690 1.00 CA12 (0.40) CA12CA1CA2CA9FKBP1A
SCHEMBL1150296 0.82 CA12 (0.44) CA12CA1CA2CA9FKBP1A
SCHEMBL29022309 0.82 CA12 (0.44) CA12CA1CA2CA9FKBP1A
SCHEMBL28897030 0.80 CA12 (0.40) CA12CA1CA2CA9FKBP1A
SCHEMBL29122407 0.78 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL22091994 0.78 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL5742303 0.78 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL12857997 0.78 SMN1; SMN2 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL29123338 0.75 CA12 (0.41) CA12CA1CA2CA9FKBP1A
SCHEMBL29123337 0.75 CA12 (0.41) CA12CA1CA2CA9FKBP1A

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 10 patents. 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 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-7435734-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-14 US disclosed
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2007-05-31 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-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 (5 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 CA12 4699/4885CA1 4353/4885CA2 2752/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI CA12 4699/4885CA1 4353/4885CA2 2752/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 CA12 4749/4885CA1 4397/4885CA2 2647/4885
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI CA12 4699/4885CA1 4353/4885CA2 2752/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 CA12 4722/4885CA1 4366/4885CA2 2890/4885

“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.