SCHEMBL20328809

SCHEMBL20328809

O=[N+]([O-])c1cc(F)c(N2CC3(COC3)C2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 5/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
THRB P10828 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
SCHEMBL21634817 0.85 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL31639655 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AHIF1ALMNAMAPT
SCHEMBL18410805 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AHIF1ALMNAMAPT
SCHEMBL4707290 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AHIF1ALMNAMAPT
SCHEMBL5285309 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AHIF1ALMNAMAPT
SCHEMBL3513303 0.76 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL5289445 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AHIF1ALMNAMAPT
SCHEMBL18410289 0.76 LRRK2 (0.44) LRRK2HDAC3HDAC1HDAC2
SCHEMBL18410632 0.76 LRRK2 (0.44) LRRK2
SCHEMBL2723622 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AHIF1ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2018-06-28 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 (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-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L LRRK2 1029/4885ALDH1A1 1310/4885KMT2A 3976/4885

“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.