SCHEMBL4484566

SCHEMBL4484566

COC(=O)C1CCCCN1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.56
POLB P06746 1/20 0.51
PEPD P12955 2/20 0.46
XPNPEP1 Q9NQW7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL22356082 0.95 POLB (0.56) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL5053830 0.95 POLB (0.56) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL7874672 0.84 FKBP1A (0.64) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL1775248 0.84 FKBP1A (0.64) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL14426630 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL12566180 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL3061683 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL7451535 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL5965365 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2
SCHEMBL70309 0.84 FKBP1A (0.57) FKBP1APOLBPEPDXPNPEP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016199761-A1 DIFLUOROMETHYLENE COMPOUNDS 石原産業株式会社 2016-12-15 WO disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 FKBP1A 543/4885POLB 3329/4885PEPD 470/4885

“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.