SCHEMBL17484491

SCHEMBL17484491

C(CNC1CCNCC1)CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
GNAI3 P08754 3/20 0.46
GNAO1 P09471 3/20 0.46
GNAI1 P63096 3/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
GAA P10253 3/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 2/20 0.44
VCP P55072 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.40
PAOX Q6QHF9 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
APOBEC3G Q9HC16 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
SCHEMBL6977228 0.86 HPGD (0.51) HPGDDUSP3GAAEPHX1LMNA
SCHEMBL6975115 0.85 GAA (0.60) RAD52HPGDDUSP3GAAEPHX1
SCHEMBL13771340 0.85 GAA (0.56) RAD52HPGDDUSP3GAAEPHX1
SCHEMBL13045564 0.83 GAA (0.62) RAD52HPGDDUSP3GAAEPHX1
SCHEMBL13771289 0.83 GAA (0.62) RAD52HPGDDUSP3GAAEPHX1
SCHEMBL17484488 0.83 RAD52 (0.60) RAD52GNAI3GNAO1GNAI1LMNA
SCHEMBL13751423 0.82 HPGD (0.47) HPGDDUSP3GAAEPHX1LMNA
SCHEMBL7513035 0.81 HPGD (0.46) HPGDDUSP3GAAEPHX1LMNA
SCHEMBL7513025 0.81 HPGD (0.46) HPGDDUSP3GAAEPHX1LMNA
SCHEMBL6977293 0.78 LMNA (0.47) RAD52HPGDDUSP3GAAEPHX1

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RAD52 1404/4885GNAI3 3587/4885GNAO1 4293/4885

“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.