SCHEMBL2920434

SCHEMBL2920434

O=C(O)CN1CCCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL3559518 0.98 CYP1A2 (0.35) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL9178013 0.67
SCHEMBL165228 0.66
SCHEMBL2291856 0.64 HSD17B10 (0.56) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL15150 0.64 GAA (0.58) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL9174370 0.64 GAA (0.58) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
Bromide SCHEMBL6987603 0.64 HSD17B10 (0.56) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL8719367 0.64 HSD17B10 (0.56) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL10942934 0.64 GAA (0.58) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL5499056 0.64 GAA (0.58) HSD17B10CYP1A2MAPK1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 HSD17B10 1334/4885CYP1A2 176/4885MAPK1 634/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HSD17B10 309/4885CYP1A2 292/4885MAPK1 799/4885

“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.