SCHEMBL2114197

SCHEMBL2114197

O=c1ccoc2c(=O)cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
FTO Q9C0B1 1/20 0.32

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
SCHEMBL21305080 0.68 BRD4 (0.41) CCR8KMT2AKDM4EMAOAMAOB
SCHEMBL16177477 0.66 CCR8 (0.54) CCR8KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21564019 0.64 CCR8 (0.59) CCR8KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4426880 0.64 TNF (0.39) MAOAMAOB
SCHEMBL660982 0.64 PARP1 (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4240700 0.64 CCR8 (0.46) CCR8KMT2ALMNAKDM4EMEN1
SCHEMBL30774416 0.62 CCR8 (1.00) CCR8KMT2ALMNAKDM4EALDH1A1
SCHEMBL19318056 0.62 CCR8 (1.00) CCR8KMT2ALMNAKDM4EALDH1A1
SCHEMBL4416677 0.60 KCNA3 (0.32)
SCHEMBL4426311 0.59 KCNA3 (0.31) ALDH1A1HPGD

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 28 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
CN-106117140-B (-) -huperzine A methods and related compositions and methods of treatment 耶鲁大学 2020-05-05 CN 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
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 CCR8 4467/4885KMT2A 619/4885LMNA 404/4885
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, POLR2E CCR8 3864/4885KMT2A 319/4885LMNA 288/4885
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CCR8 4467/4885KMT2A 619/4885LMNA 404/4885
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT CCR8 4590/4885KMT2A 443/4885LMNA 415/4885
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, GMNN CCR8 3969/4885KMT2A 354/4885LMNA 320/4885
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A CCR8 4613/4885KMT2A 4280/4885LMNA 2585/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 CCR8 3925/4885KMT2A 566/4885LMNA 1247/4885
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CCR8 4467/4885KMT2A 619/4885LMNA 404/4885
US-20150158817-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT CCR8 4590/4885KMT2A 443/4885LMNA 415/4885
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 CCR8 4795/4885KMT2A 1532/4885LMNA 2064/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CCR8 4467/4885KMT2A 619/4885LMNA 404/4885
US-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT CHRNA5, HTR2A, HTT CCR8 4590/4885KMT2A 443/4885LMNA 415/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT CCR8 4590/4885KMT2A 443/4885LMNA 415/4885

“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.