SCHEMBL2169779

SCHEMBL2169779

COc1cccc(N2N(C3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C(=O)C2(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD11B1 P28845 12/20 0.42
MAPT P10636 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL2169117 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1MAPTPRMT5
SCHEMBL2169112 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1MAPTPRMT5
SCHEMBL12012565 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1MAPTPRMT5
SCHEMBL12012578 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1MAPTPRMT5
SCHEMBL2168528 0.88 HSD11B1 (0.51) HSD11B1PRMT5WDR77
SCHEMBL12012566 0.88 HSD11B1 (0.51) HSD11B1PRMT5WDR77
SCHEMBL2168876 0.88 HSD11B1 (0.51) HSD11B1PRMT5WDR77
SCHEMBL12012577 0.88 HSD11B1 (0.51) HSD11B1PRMT5WDR77
SCHEMBL2168531 0.88 HSD11B1 (0.51) HSD11B1PRMT5WDR77
SCHEMBL2169585 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD11B1MAPTPRMT5

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
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 ALDH1A1 157/4885SMN1; SMN2 3043/4885HSD11B1 1/4885

“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.