SCHEMBL12870628

SCHEMBL12870628

CCCCOC(=O)N1CCOCC1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
DPP4 P27487 7/20 0.40
GBA2 Q9HCG7 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CASP1 P29466 2/20 0.37
USP2 O75604 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.33
IDH1 O75874 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL21243398 0.80 DPP4 (0.56) DPP4
SCHEMBL30529416 0.78 DPP4 (0.52) DPP4
SCHEMBL28194933 0.78 POLB (0.55) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL3712797 0.78 SMN1; SMN2 (0.55) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL35211290 0.77 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL2995818 0.77 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL12870626 0.77 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL17293189 0.76 SMN1; SMN2 (0.52) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL29022290 0.75 USP2 (0.47) SMN1; SMN2DPP4MAPTALDH1A1KMT2A
SCHEMBL3086236 0.75 USP2 (0.47) SMN1; SMN2DPP4MAPTALDH1A1KMT2A

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 5 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-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 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

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

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 3383/4885POLB 124/4885LMNA 2792/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI SMN1; SMN2 3383/4885POLB 124/4885LMNA 2792/4885

“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.