SCHEMBL2039432

SCHEMBL2039432

O=C(O)CC(C[N+](=O)[O-])c1ccsc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
GABBR2 O75899 4/20 0.36
GABBR1 Q9UBS5 4/20 0.36
CPA1 P15085 3/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL6479633 0.83 CNR1 (0.38) CNR1ALOX5ALDH1A1LMNACYP3A4
SCHEMBL2040186 0.81 KDM4E (0.42) CNR1ALOX5ALDH1A1LMNACYP1A2
SCHEMBL22831452 0.79 GABBR2 (0.58) GABBR2GABBR1CPA1ALDH1A1LMNA
SCHEMBL29147714 0.79 GABBR2 (0.58) GABBR2GABBR1CPA1ALDH1A1LMNA
SCHEMBL21686411 0.75 GABBR2 (0.61) CNR1GABBR2GABBR1ALDH1A1LMNA
SCHEMBL21686319 0.75 SERPINH1 (0.43) CNR1GABBR2GABBR1ALDH1A1LMNA
SCHEMBL9988481 0.75 GABBR2 (0.61) CNR1GABBR2GABBR1ALDH1A1LMNA
SCHEMBL27725190 0.75 GABBR2 (0.61) CNR1GABBR2GABBR1ALDH1A1LMNA
SCHEMBL28158048 0.75 GABBR2 (0.38) GABBR2GABBR1ALOX5LMNACYP1A2
SCHEMBL9324364 0.72 CNR1 (0.45) CNR1ALOX5ALDH1A1MEN1KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2026-02-05 US disclosed
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-10-31 US disclosed
CN-118165002-A Polycyclic compounds and methods of use thereof 桑诺维恩药品公司 2024-06-11 CN disclosed
EP-3252057-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
CN-102762575-A Polycyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC 2012-10-31 CN disclosed
EP-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 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 (6 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-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CNR1 137/4885GABBR2 52/4885GABBR1 33/4885
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CNR1 137/4885GABBR2 52/4885GABBR1 33/4885
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CNR1 137/4885GABBR2 52/4885GABBR1 33/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT CNR1 137/4885GABBR2 52/4885GABBR1 33/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CNR1 137/4885GABBR2 52/4885GABBR1 33/4885
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SLC6A3, SLC6A11, SLC6A13 CNR1 130/4885GABBR2 583/4885GABBR1 483/4885

“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.