SCHEMBL9258313

SCHEMBL9258313

CCOC(=O)NNC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1A P08908 1/20 0.35
PTGS2 P35354 1/20 0.35
MMP8 P22894 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
SCHEMBL11608157 0.83 GAA (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL355253 0.80 GAA (0.55) GAAMGAMSIMGAM2LMNA
SCHEMBL6656435 0.79 EPHX1 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL16225032 0.79 GAA (0.40) GAAMGAMSIMGAM2LMNA
SCHEMBL28578606 0.77 LMNA (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL29173684 0.77 GAA (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL15998069 0.77 GAA (0.38) GAAMGAMSIMGAM2LMNA
SCHEMBL906813 0.76
SCHEMBL17280414 0.76 LMNA (0.43) GAAMGAMSIMGAM2LMNA
SCHEMBL204875 0.75

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385893-A For magnetic resonance imaging THE DOW CHEMICAL COMPANY (US) 1995-01-31 US claimed
EP-2383280-A1 Expression system for toxic ion channels, in particular ryanodine receptors E. I. du Pont de Nemours and Company (US) 2011-11-02 EP disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-5441924-A Herbicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed
US-5385893-A For magnetic resonance imaging THE DOW CHEMICAL COMPANY (US) 1995-01-31 US disclosed
US-5238902-A Herbicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
US-4492690-A Phosphoric and thiophosphoric esters of 5(3)-hydroxypyrazoles exerting an insecticidal action MONTEDISON S.P.A. (IT) 1985-01-08 US disclosed
US-4459294-A MITICIDES, NEMATOCIDES MONTEDISON S.P.A. (IT) 1984-07-10 US disclosed
US-4256902-A FORMING AN ALKALINE SALT BY REACTING A HYDRAZINE WITH A B,B-DICHLORO-ACRYLOYL CHLORIDE, ACIDIFYING MONTEDISON S.P.A. (IT) 1981-03-17 US disclosed
US-4245106-A IN THE PRESENCE OF ACETIC ACID MONSANTO COMPANY (US) 1981-01-13 US disclosed
US-4116673-A HERBICIDES MONSANTO COMPANY (US) 1978-09-26 US disclosed
US-4076938-A Process for the production of 3-hydroxy-1,2,4-triazole derivatives CIBA-GEIGY CORPORATION (US) 1978-02-28 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 (1 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-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS GAA 929/4885MGAM 1817/4885SI 1623/4885

“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.