SCHEMBL20448751

SCHEMBL20448751

O=[C]c1cncc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
DAO P14920 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
HDAC4 P56524 1/20 0.34
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32

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
SCHEMBL30133235 0.79 CYP1A2 (0.49) CYP11B2CYP11B1CYP3A4CYP1A2METAP2
SCHEMBL2749165 0.79 CYP1A2 (0.49) CYP11B2CYP11B1CYP3A4CYP1A2METAP2
SCHEMBL28054342 0.78 CYP11B2 (0.52) CYP11B2CYP11B1PARP10PARP11
SCHEMBL8976596 0.77
SCHEMBL3749196 0.77 CYP11B1 (0.43) CYP11B2CYP11B1DAOCYP3A4CYP2C9
SCHEMBL728390 0.75 CES2 (0.46) CYP3A4ALDH1A1
SCHEMBL1477141 0.73 GRM5 (0.50) CYP11B2CYP11B1TAS2R14HDAC4ALDH1A1
SCHEMBL31098087 0.72 CHRNB2 (0.36) CYP11B2CYP11B1DAOCYP1A2METAP2
SCHEMBL22031535 0.72 ALDH1A1 (0.53) CYP11B2CYP11B1DAOALDH1A1GAA
SCHEMBL31098060 0.72 ALDH1A1 (0.53) CYP11B2CYP11B1DAOALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US disclosed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US disclosed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 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 (2 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD CYP11B2 4585/4885CYP11B1 4544/4885DAO 2222/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD CYP11B2 4585/4885CYP11B1 4544/4885DAO 2222/4885

“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.