SCHEMBL8401684

SCHEMBL8401684

CC(C)(C)OC(=O)c1ccc(/C(N)=N/O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM1A O60341 3/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
TRPA1 O75762 1/20 0.36
NR3C2 P08235 1/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL6115595 1.00 RECQL (0.39) RECQLCA12CA1CA2CA9
SCHEMBL17253286 0.85 CA1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL406864 0.84 KDM4E (0.47) RECQLCA12CA1CA2CA9
SCHEMBL8401255 0.84 KDM4E (0.47) RECQLCA12CA1CA2CA9
SCHEMBL406865 0.84 KDM4E (0.47) RECQLCA12CA1CA2CA9
SCHEMBL23414073 0.81 L3MBTL1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL16241974 0.81 LMNA (0.50) CA12CA1CA2CA9CA14
SCHEMBL9902629 0.77 KDM1A (0.42) RECQLKDM1ARAB9AHTTLMNA
SCHEMBL19014876 0.77 KDM1A (0.42) RECQLKDM1ARAB9AHTTLMNA
SCHEMBL355847 0.76 GAA (0.44) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738168-B1 N-HETERO-RING-SUBSTITUTED AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-04-06 EP disclosed
US-9006273-B2 N-hetero-ring-substituted amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-14 US disclosed
US-9006273-B2 N-hetero-ring-substituted amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-14 US disclosed
US-20140221437-A1 N-HETERO-RING-SUBSTITUTED AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221437-A1 N-HETERO-RING-SUBSTITUTED AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2738168-A1 N-HETERO-RING-SUBSTITUTED AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-04 EP disclosed
US-8722711-B2 Acylbenzene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-13 US disclosed
US-8722711-B2 Acylbenzene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-13 US disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
US-20130217733-A1 ACYLBENZENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-22 US disclosed
US-20130217733-A1 ACYLBENZENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-22 US disclosed
EP-2463279-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 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 (3 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-20120129832-A1 AMIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 RECQL 3435/4885CA12 1565/4885CA1 983/4885
US-20130217733-A1 ACYLBENZENE DERIVATIVE AMY2A, IAPP, SLC5A1 RECQL 4546/4885CA12 951/4885CA1 1152/4885
US-20140221437-A1 N-HETERO-RING-SUBSTITUTED AMIDE DERIVATIVE IAPP, AMY2A, GPR119 RECQL 2669/4885CA12 2254/4885CA1 944/4885

“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.