SCHEMBL2116054

SCHEMBL2116054

O=C1NC=CN2CCCCC12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
PARP1 P09874 2/20 0.31
PKM P14618 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL2117877 0.94 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4462216 0.66
SCHEMBL21008119 0.66 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL20998723 0.66 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4637369 0.64
SCHEMBL2115680 0.62 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2ASLC18A3
SCHEMBL7383705 0.62 ALDH1A1 (0.75) ALDH1A1KDM4EGAA
SCHEMBL2331298 0.61
SCHEMBL17966441 0.60 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11329761 0.60 ALDH1A1 (0.72) ALDH1A1KDM4EGAAMAPT

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 25 patents — showing the first 20. 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
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment UNIV YALE (US) 2020-12-17 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-20150158817-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment YALE UNIVERSITY 2015-06-11 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
EP-2681199-A1 (--)- HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT Yale University (US) 2014-01-08 EP 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
WO-2012121863-A1 (--)- HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT YALE UNIVERSITY (US) 2012-09-13 WO 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
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO 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 (13 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 ALDH1A1 341/4885KDM4E 1782/4885MEN1 2577/4885
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, POLR2E ALDH1A1 2927/4885KDM4E 1100/4885MEN1 372/4885
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885MEN1 2577/4885
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885MEN1 2218/4885
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, GMNN ALDH1A1 2690/4885KDM4E 1251/4885MEN1 324/4885
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A ALDH1A1 4235/4885KDM4E 2435/4885MEN1 2441/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 ALDH1A1 1675/4885KDM4E 979/4885MEN1 536/4885
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885MEN1 2577/4885
US-20150158817-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885MEN1 2218/4885
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 ALDH1A1 3117/4885KDM4E 228/4885MEN1 3204/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885MEN1 2577/4885
US-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885MEN1 2218/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885MEN1 2218/4885

“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.