SCHEMBL2117877

SCHEMBL2117877

O=C1NC=CN2CCCC12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CTDSP1 Q9GZU7 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2116054 0.94 ALDH1A1 (0.38) KDM4EALDH1A1CTDSP1MAPTGAA
SCHEMBL4637369 0.69
SCHEMBL17966441 0.65 ALDH1A1 (0.46) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL4471221 0.64
SCHEMBL337373 0.60 ALDH1A1 (0.85) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL337149 0.60 ALDH1A1 (1.00) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL337396 0.60 ALDH1A1 (1.00) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL11525533 0.60
SCHEMBL2303090 0.59 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL21008119 0.59 ALDH1A1 (0.33) KDM4EALDH1A1MAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2024-11-05 US disclosed
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment UNIV YALE (US) 2022-03-03 US disclosed
EP-3434669-B1 INTERMEDIATE COMPOUNDS UTILIZABLE IN SYNTHESIS OF (-) HUPERZINE AND PROCESS FOR OBTAIN ONE OF THESE INTERMEDIATE COMPOUNDS UNIV YALE (US) 2020-11-04 EP disclosed
US-10781179-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2020-09-22 US disclosed
US-20200223860-A1 THE TOTAL SYNTHESIS OF GLUCOSEPANE AND RELATED CHEMICAL REACTIONS, COMPOUNDS AND COMPOSITIONS AND OBTAINED THEREFROM AND METHODS OF TREATMENT UNIV YALE (US) 2020-07-16 US disclosed
US-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT UNIV YALE (US) 2020-04-09 US disclosed
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2019-10-29 US disclosed
EP-3434669-A1 INTERMEDIATE COMPOUNDS UTILIZABLE IN SYNTHESIS OF (-) HUPERZINE AND PROCESS FOR OBTAIN ONE OF THESE INTERMEDIATE COMPOUNDS Yale University (US) 2019-01-30 EP disclosed
US-20180291031-A1 TOTAL SYNTHESIS OF GLUCOSEPANE AND COMPOUNDS OBTAINED THEREFROM YALE UNIVERSITY (US) 2018-10-11 US disclosed
EP-2681199-B1 PROCESS FOR THE PREPARATION OF (-)-HUPERZINE A UNIV YALE (US) 2018-09-26 EP disclosed
US-20180237395-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT UNIV YALE (US) 2018-08-23 US disclosed
US-9376452-B2 Rab7 GTPase inhibitors and related methods of treatment ST. UNM (US) 2016-06-28 US disclosed
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2015-03-26 US disclosed
US-8889689-B2 Bifunctional metnase/intnase inhibitors and related compositions and methods of treatment of cancer STC.UNM (US) 2014-11-18 US disclosed
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-11-29 US disclosed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 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 (12 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-10781179-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 KDM4E 1782/4885ALDH1A1 341/4885CTDSP1 3051/4885
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, POLR2E KDM4E 1100/4885ALDH1A1 2927/4885CTDSP1 109/4885
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, GMNN KDM4E 1251/4885ALDH1A1 2690/4885CTDSP1 127/4885
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A KDM4E 2435/4885ALDH1A1 4235/4885CTDSP1 3905/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 KDM4E 979/4885ALDH1A1 1675/4885CTDSP1 562/4885
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 KDM4E 1782/4885ALDH1A1 341/4885CTDSP1 3051/4885
US-20180237395-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT CHRNA5, HTR2A, HTT KDM4E 1487/4885ALDH1A1 316/4885CTDSP1 3033/4885
US-20200223860-A1 THE TOTAL SYNTHESIS OF GLUCOSEPANE AND RELATED CHEMICAL REACTIONS, COMPOUNDS AND COMPOSITIONS AND OBTAINED THEREFROM AND METHODS OF TREATMENT PTMS, AGER, GALE KDM4E 228/4885ALDH1A1 3117/4885CTDSP1 3671/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 KDM4E 1782/4885ALDH1A1 341/4885CTDSP1 3051/4885
US-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT CHRNA5, HTR2A, HTT KDM4E 1487/4885ALDH1A1 316/4885CTDSP1 3033/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT KDM4E 1487/4885ALDH1A1 316/4885CTDSP1 3033/4885
US-20180291031-A1 TOTAL SYNTHESIS OF GLUCOSEPANE AND COMPOUNDS OBTAINED THEREFROM PTMS, GALE, AGER KDM4E 277/4885ALDH1A1 2961/4885CTDSP1 3552/4885

“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.