SCHEMBL17829588

SCHEMBL17829588

CN(C)CCCNc1nc(-c2cccc(-c3ccccc3Cl)c2)nc2c(Cl)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.57
KMT2A Q03164 1/20 0.57
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 4/20 0.54
TLR9 Q9NR96 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TOP2A P11388 2/20 0.44
TRIM58 Q8NG06 2/20 0.43
SLC2A1 P11166 1/20 0.43
ACP1 P24666 2/20 0.43
SMARCA2 P51531 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAT2A P31153 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17829890 0.93 RAD52 (0.53) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829856 0.93 RAD52 (0.62) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829888 0.89 POLB (0.55) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829887 0.88 POLB (0.54) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829853 0.86 RAD52 (0.53) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829579 0.84 ALDH1A1 (0.53) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829881 0.82 RAD52 (0.47) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829896 0.81 RAD52 (0.48) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829897 0.81 RAD52 (0.47) RAD52KMT2AMAPK1ALDH1A1POLB
SCHEMBL17829817 0.80 RAD52 (0.55) RAD52KMT2AMAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 RAD52 1940/4885KMT2A 4559/4885MAPK1 192/4885

“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.