SCHEMBL2168798

SCHEMBL2168798

COCOc1cccc(N2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPY1R P25929 2/20 0.36
DHFR P00374 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
LMNA P02545 2/20 0.32
GRM2 Q14416 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD11B1 P28845 1/20 0.30
FFAR1 O14842 1/20 0.30

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 0.89 BACE1 (0.32) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL2169585 0.89 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2170408 0.81 KMT2A (0.42) SMN1; SMN2ALDH1A1DHFRMAPTMEN1
SCHEMBL2169450 0.81 CACNA1B (0.39) SMN1; SMN2ALDH1A1MAPTHSD17B10HSD11B1
SCHEMBL2169279 0.81 EPHX2 (0.33) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2168779 0.80 MEN1 (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2169328 0.80 MEN1 (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2170619 0.79 ALOX12 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2APRMT5
SCHEMBL2169329 0.79 PRMT5 (0.39) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL2168998 0.77 HSD11B1 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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 8 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
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

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 SMN1; SMN2 3043/4885ALDH1A1 157/4885NPY1R 659/4885

“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.