SCHEMBL594255

SCHEMBL594255

CC(=O)N1CCOc2ccc(Br)cc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
CASP6 P55212 1/20 0.49
PTPN11 Q06124 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 1/20 0.46
PTGER3 P43115 1/20 0.45

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
SCHEMBL5270784 0.88 NOTUM (0.63) NOTUMPDE3BPDE3ALMNAKMT2A
SCHEMBL1855164 0.86 LMNA (0.52) NOTUMPDE3BPDE3ALMNAPOLB
SCHEMBL5533649 0.83 NOTUM (0.65) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL10274847 0.83 NOTUM (0.65) NOTUMPDE3BPDE3ALMNAKMT2A
SCHEMBL395823 0.82 NOTUM (0.63) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL302938 0.81 LMNA (0.48) NOTUMPDE3BPDE3ALMNA
SCHEMBL31286980 0.81 LMNA (0.48) NOTUMPDE3BPDE3ALMNAKMT2A
SCHEMBL30375885 0.81 LMNA (0.48) NOTUMPDE3BPDE3ALMNA
Hydrochloric Acid SCHEMBL398436 0.81 NOTUM (0.61) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL18737439 0.79 NOTUM (0.60) NOTUMPDE3BPDE3ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 CN disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US disclosed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP disclosed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 NOTUM 2254/4885PDE3B 719/4885PDE3A 1268/4885
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 NOTUM 3577/4885PDE3B 1687/4885PDE3A 1698/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 NOTUM 301/4885PDE3B 1238/4885PDE3A 1539/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS NOTUM 2780/4885PDE3B 2244/4885PDE3A 2983/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 NOTUM 2254/4885PDE3B 719/4885PDE3A 1268/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX NOTUM 4716/4885PDE3B 1165/4885PDE3A 2663/4885

“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.