SCHEMBL707633

SCHEMBL707633

O=C(C=Cc1ccccc1)Nc1cc(F)cc(Br)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.81
MMP1 P03956 10/20 0.68
MMP2 P08253 10/20 0.68
MMP9 P14780 10/20 0.68
MAOB P27338 5/20 0.68
MAOA P21397 4/20 0.68
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
DEGS1 O15121 1/20 0.55

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
SCHEMBL707632 1.00 EGFR (0.81) EGFRMMP1MMP2MMP9MAOB
SCHEMBL707946 0.90 EGFR (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL707945 0.90 EGFR (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL30894575 0.83 EGFR (0.68) EGFRMMP1MMP2MMP9MAOB
SCHEMBL704743 0.81 MAOB (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL704742 0.81 MAOB (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL705745 0.81 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL705746 0.81 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB
SCHEMBL30894566 0.81 MAOB (1.00) EGFRMMP1MMP2MMP9MAOB
N-(4-Fluorophenyl)Cinnamamide SCHEMBL7707929 0.79 MMP1 (1.00) EGFRMMP1MMP2MMP9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK EGFR 2504/4885MMP1 368/4885MMP2 853/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK EGFR 2504/4885MMP1 368/4885MMP2 853/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK EGFR 2504/4885MMP1 368/4885MMP2 853/4885

“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.