SCHEMBL17529474

SCHEMBL17529474

CCCCOc1cc(C=O)c(Br)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.70
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
PTPN1 P18031 5/20 0.45
FDPS P14324 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ERN1 O75460 2/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL19640183 0.88 PRKDC (0.70) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL19640177 0.86 PRKDC (0.72) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL27002137 0.86 ALDH1A1 (0.67) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL1620382 0.86 LMNA (0.87) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL14835649 0.86 LMNA (0.87) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL8027591 0.85 PRKDC (0.47) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL17529510 0.85 PRKDC (0.47) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL8293084 0.84 ALDH1A1 (0.63) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL515642 0.83 PRKDC (1.00) PRKDCLMNAALDH1A1MAPTL3MBTL1
SCHEMBL13299039 0.83 ALDH1A1 (0.49) PRKDCLMNAALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
WO-2016029214-A9 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2017-01-05 WO disclosed
WO-2016029216-A2 METHOD FOR PRODUCING AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed
WO-2016029214-A1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 WO 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-20170266172-A1 Compositions and Uses of Amidine Derivatives HRH3, HRH2, HRH1 PRKDC 4384/4885LMNA 1500/4885ALDH1A1 2053/4885

“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.