SCHEMBL5654812

SCHEMBL5654812

Fc1cc(C2=NOC(COc3ccon3)C2)ccc1-n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
HPGD P15428 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
SCHEMBL5654816 1.00 MIF (0.36) MIFCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5655513 0.85 MIF (0.36) MIFLMNAKDM4EMAPT
SCHEMBL5655522 0.85 MIF (0.36) MIFLMNAKDM4EMAPT
SCHEMBL5657087 0.85 MIF (0.39) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5657092 0.85 MIF (0.39) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5654502 0.84 MIF (0.36) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5654962 0.84 MIF (0.36) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5654496 0.84 MIF (0.36) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5654955 0.84 MIF (0.36) MIFLMNAKDM4EMAPTALDH1A1
SCHEMBL5655145 0.82 PDE3B (0.42) MIFRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP 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 (1 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 MIF 4704/4885CYP1A2 71/4885CYP3A4 28/4885

“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.