SCHEMBL10313337

SCHEMBL10313337

Cn1nccc(NCC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ PTPRC P08575 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL10313338 0.82 ELANE (0.43) KDM4EALDH1A1
SCHEMBL1229473 0.80 BRD4 (0.38) ITGA4ITGB7BRD4KMT2AL3MBTL1
SCHEMBL19987787 0.73 FLT1 (0.38) LIPG
SCHEMBL1230391 0.69 PDE5A (0.37) BRD4KDM4EALDH1A1KMT2A
SCHEMBL1688815 0.69 POLB (0.47) PTPRCKDM4EALDH1A1KMT2A
SCHEMBL9207223 0.68 CYP1A2 (0.40) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL6437790 0.68 MAPT (0.47) PTPRCKDM4EALDH1A1
SCHEMBL26790029 0.68 HPGD (0.44) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL28610965 0.68 GAA (0.45) PTPRCLIPGKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27570517 0.68 BRD4 (0.38) BRD4

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-2462121-B1 DERIVATIVES OF 2H PYRIDAZIN-3-ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PF MEDICAMENT (FR) 2015-02-18 — — EP disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — 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 (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-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 ITGA4 2233/4885ITGB7 1884/4885PTPRC 3580/4885

“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.

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