SCHEMBL2168998

SCHEMBL2168998

COc1ccc(N2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 4/20 0.39
CTSD P07339 3/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
REN P00797 1/20 0.39
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38
ELANE P08246 1/20 0.38
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL2170293 0.87 BACE1 (0.32) HSD11B1ALDH1A1SMN1; SMN2BACE1CTSD
SCHEMBL2169585 0.86 ALDH1A1 (0.54) HSD11B1ALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL12012566 0.86 HSD11B1 (0.51) HSD11B1BACE1CTSDPRMT5WDR77
SCHEMBL12012577 0.86 HSD11B1 (0.51) HSD11B1BACE1CTSDPRMT5WDR77
SCHEMBL2168876 0.86 HSD11B1 (0.51) HSD11B1BACE1CTSDPRMT5WDR77
SCHEMBL2168528 0.86 HSD11B1 (0.51) HSD11B1BACE1CTSDPRMT5WDR77
SCHEMBL2168531 0.86 HSD11B1 (0.51) HSD11B1BACE1CTSDPRMT5WDR77
SCHEMBL2169571 0.85 TP53 (0.35) HSD11B1SMN1; SMN2POLBEPHX2ELANE
SCHEMBL2168539 0.84 POLB (0.32) POLBEPHX2GAAMAPTKMT2A
SCHEMBL2169052 0.84 CYP19A1 (0.35) ALDH1A1SMN1; SMN2BACE1CTSDPRMT5

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

“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.