SCHEMBL12316235

SCHEMBL12316235

CC(C)c1cnc(NCC(=O)O)nc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ P2RX3 P56373 6/20 0.34
▸ P2RX2 Q9UBL9 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ EGLN1 Q9GZT9 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
SCHEMBL12338165 0.85 KDM4E (0.34) KDM4ECA12CA1CA2CA9
SCHEMBL14983677 0.72 RAB9A (0.42) KDM4ECA12CA1CA2CA9
SCHEMBL12412659 0.71 SMN1; SMN2 (0.43) EGLN1PLAU
SCHEMBL8201848 0.70 RAB9A (0.43) KDM4ECA12CA1CA2CA9
SCHEMBL12503461 0.68 EGLN1 (0.40) KDM4ECA12CA1CA2CA9
SCHEMBL23320696 0.67 RAB9A (0.41) KDM4ECA12CA1CA2CA9
SCHEMBL721907 0.67 CA12 (0.51) KDM4ECA12CA1CA2CA9
SCHEMBL2559631 0.66 VNN1 (0.37) KDM4ECA12CA1CA2CA9
SCHEMBL2401111 0.64 ALDH1A1 (0.52) KDM4ECA12CA1CA2CA9
SCHEMBL21963629 0.64 KMT2A (0.68) KDM4ECA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 — — US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 — — 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 THRA 4196/4885THRB 3566/4885P2RX3 992/4885

“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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