SCHEMBL5328279

SCHEMBL5328279

O=C(Cn1nnnc1-c1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
HSD11B1 P28845 4/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
HDAC6 Q9UBN7 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TSHR P16473 1/20 0.41
P2RX7 Q99572 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL5332287 0.90 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL5331220 0.86 HSD11B1 (0.53) ALDH1A1HPGDHSD11B1HTTTSHR
SCHEMBL5966689 0.82 TRPV1 (0.59) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947294 0.81 MAPK1 (0.61) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947310 0.80 TRPV1 (0.63) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947249 0.79 MEN1 (0.59) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL5966693 0.77 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL9568925 0.76 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL5966710 0.76 CYP1A2 (0.59) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL408079 0.75 HSD11B1 (0.56) ALDH1A1HPGDHSD11B1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ALDH1A1 2972/4885HPGD 1825/4885HSD11B1 4746/4885

“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.