SCHEMBL13453023

SCHEMBL13453023

[N-]=[N+]=N[C@H]1CO[C@@H]2COC(c3ccccc3)O[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
ADRA1A P35348 1/20 0.31
POLB P06746 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
SCHEMBL13771105 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL24311520 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL13934947 0.81 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL17879638 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL17879655 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL8905280 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL8905004 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL8905152 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL15574708 0.74 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL12747477 0.74 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684880-B1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-02-28 EP disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
EP-2684880-A1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 EP disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 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 (3 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-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885MEN1 2066/4885KMT2A 1997/4885
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TPD52L2 ALDH1A1 1173/4885MEN1 1992/4885KMT2A 1870/4885
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885MEN1 2066/4885KMT2A 1997/4885

“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.