SCHEMBL4893443

SCHEMBL4893443

C=CCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
EPHX1 P07099 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
MALT1 Q9UDY8 1/20 0.39
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23521827 0.90 MAOA (0.55) TDP1EPHX1MAOAMAOBGAA
SCHEMBL23680049 0.89 MAOA (0.61) TDP1EPHX1MAOAMAOBGAA
SCHEMBL14539883 0.87 TDP1 (0.53) TDP1EPHX1MAOAMAOBGAA
SCHEMBL22163433 0.85 TDP1 (0.47) TDP1EPHX1MAOAMAOBGAA
SCHEMBL262291 0.83 TDP1 (0.47) TDP1EPHX1MAOAMAOBGAA
SCHEMBL20801639 0.83 TDP1 (0.60) TDP1EPHX1MAOAMAOBGAA
SCHEMBL9998912 0.83 TDP1 (0.60) TDP1EPHX1MAOAMAOBGAA
SCHEMBL631719 0.83 TDP1 (0.60) TDP1EPHX1MAOAMAOBGAA
SCHEMBL3341020 0.81 TDP1 (0.67) TDP1EPHX1MAOAMAOBGAA
SCHEMBL360688 0.80 TDP1 (0.53) TDP1EPHX1MAOAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872275-A Biphenyl compounds as immunomodulators and uses thereof 深圳微芯生物科技股份有限公司 2020-03-10 CN disclosed
WO-2020043154-A1 BIPHENYL COMPOUND AS IMMUNOMODULATORY AGENT AND USE THEREOF 深圳微芯生物科技股份有限公司 2020-03-05 WO disclosed
WO-2017075056-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-04 WO disclosed
WO-2014022752-A1 MACROCYCLES AS PIM INHIBITORS AMGEN INC. (US) 2014-02-06 WO disclosed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO 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-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy CYC1, F2, CBR1 TDP1 2645/4885EPHX1 457/4885MAOA 739/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 TDP1 2822/4885EPHX1 1038/4885MAOA 2017/4885

“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.