SCHEMBL17829888

SCHEMBL17829888

CN(C)CCCNc1nc(-c2cccc(-c3cccc(Cl)c3)c2)nc2c(Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
RAD52 P43351 4/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
TLR9 Q9NR96 1/20 0.47
TRIM58 Q8NG06 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
SLC2A1 P11166 1/20 0.44
FLT3 P36888 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TOP2A P11388 2/20 0.42
ACP1 P24666 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
SCHEMBL17829856 0.94 RAD52 (0.62) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17830139 0.91 RAD52 (0.57) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829887 0.91 POLB (0.54) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829588 0.89 RAD52 (0.57) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829890 0.88 RAD52 (0.53) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17833144 0.87 SMN1; SMN2 (0.47) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829813 0.86 RAD52 (0.56) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829896 0.84 RAD52 (0.48) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829897 0.83 RAD52 (0.47) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829817 0.83 RAD52 (0.55) POLBRAD52KMT2AALDH1A1MAPK1

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
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

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 POLB 1188/4885RAD52 1940/4885KMT2A 4559/4885

“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.