SCHEMBL704743

SCHEMBL704743

O=C(C=Cc1ccccc1)Nc1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 1.00
MAOA P21397 8/20 1.00
MMP1 P03956 7/20 0.71
MMP2 P08253 7/20 0.71
MMP9 P14780 7/20 0.71
EGFR P00533 3/20 0.71
TRPV1 Q8NER1 1/20 0.68
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
ALPG P10696 1/20 0.64

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
SCHEMBL30894566 1.00 MAOB (1.00) MAOBMAOAMMP1MMP2MMP9
SCHEMBL704742 1.00 MAOB (1.00) MAOBMAOAMMP1MMP2MMP9
SCHEMBL1232873 0.86 MAOB (0.76) MAOBMAOAMMP1MMP2MMP9
SCHEMBL1232872 0.86 MAOB (0.76) MAOBMAOAMMP1MMP2MMP9
SCHEMBL8065865 0.85 MAOB (0.73) MAOBMAOAMMP1MMP2MMP9
SCHEMBL8065866 0.85 MAOB (0.73) MAOBMAOAMMP1MMP2MMP9
N-Phenylcinnamamide SCHEMBL4205896 0.84 MMP1 (1.00) MAOBMAOAMMP1MMP2MMP9
N-Phenylcinnamamide SCHEMBL2682029 0.84 MMP1 (1.00) MAOBMAOAMMP1MMP2MMP9
N-Phenylcinnamamide SCHEMBL3667414 0.84 MMP1 (1.00) MAOBMAOAMMP1MMP2MMP9
SCHEMBL6275812 0.83 MMP1 (1.00) MAOBMAOAMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 MAOB 954/4885MAOA 1426/4885MMP1 4110/4885
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B MAOB 70/4885MAOA 46/4885MMP1 827/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 MAOB 954/4885MAOA 1426/4885MMP1 4110/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAOB 1619/4885MAOA 1300/4885MMP1 368/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAOB 1619/4885MAOA 1300/4885MMP1 368/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAOB 1619/4885MAOA 1300/4885MMP1 368/4885

“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.