SCHEMBL16703971

SCHEMBL16703971

Nc1ccn([C@]2(CCCC(=O)c3cccnc3)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC29A1 Q99808 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 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
SCHEMBL6846614 0.80 LMNA (0.46) POLA1LMNATHRBMTORMDM2
SCHEMBL9868819 0.80 POLA1 (0.44) POLA1LMNATHRBMTORMDM2
SCHEMBL28645147 0.79 LMNA (0.46) POLA1LMNATHRBMTORMDM2
SCHEMBL31070840 0.79 LMNA (0.49) POLA1LMNATHRBMTORMDM2
SCHEMBL8604152 0.79 LMNA (0.45) POLA1LMNATHRBMTORMDM2
SCHEMBL6060585 0.79 LMNA (0.45) POLA1LMNATHRBMTORMDM2
SCHEMBL7775032 0.78 LMNA (0.48) POLA1LMNATHRBMTORMDM2
Guanidine SCHEMBL28644548 0.78 LMNA (0.43) POLA1LMNATHRBMTORMDM2
SCHEMBL25407209 0.78 LMNA (0.44) LMNATHRBMTORMDM2NCOA1
SCHEMBL15239320 0.77 LMNA (0.47) POLA1LMNATHRBMTORMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050509-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2024-02-15 US disclosed
US-20210228672-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2021-07-29 US disclosed
US-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2021-02-16 US disclosed
US-20200261529-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2020-08-20 US disclosed
US-20200255395-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2020-08-13 US disclosed
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof Kuality Herbceutics, LLC (US) 2020-04-21 US disclosed
US-10584108-B2 Therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2020-03-10 US disclosed
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2018-05-17 US disclosed
WO-2016179587-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-11-10 WO disclosed
US-20160279184-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-09-29 US disclosed
EP-3068416-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Kuality Herbceutics LLC (US) 2016-09-21 EP disclosed
WO-2015070226-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2015-05-14 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 (9 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-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP POLA1 4048/4885LMNA 1634/4885THRB 3611/4885
US-20210228672-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885
US-20200255395-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP POLA1 4048/4885LMNA 1634/4885THRB 3611/4885
US-20200261529-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885
US-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885
US-20240050509-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885
US-10584108-B2 Therapeutic compounds and methods of use thereof NQO1, VHL, XIAP POLA1 4048/4885LMNA 1634/4885THRB 3611/4885
US-20160279184-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 POLA1 2538/4885LMNA 1125/4885THRB 3035/4885

“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.