SCHEMBL17829648

SCHEMBL17829648

CCN(CC)CCCCNc1nc(-c2c[nH]c3ccccc23)nc2c(C)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CACNA2D1 P54289 1/20 0.43
SLC2A1 P11166 1/20 0.43
TOP2A P11388 1/20 0.43
TSHR P16473 1/20 0.40
FLT3 P36888 4/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.39
HTR6 P50406 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NQO1 P15559 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PAX8 Q06710 1/20 0.36
PARP1 P09874 1/20 0.36
LATS1 O95835 1/20 0.36

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
SCHEMBL17829639 0.87 RAD52 (0.47) POLBSLC2A1TOP2AFLT3GAA
SCHEMBL17833263 0.84 CCR4 (0.51) CACNA2D1FLT3HTR1AHTR6
SCHEMBL17829656 0.77 POLB (0.44) POLBCACNA2D1SLC2A1TOP2ATSHR
SCHEMBL17829689 0.73 SLC6A4 (0.46) POLBTOP2AFLT3
SCHEMBL17833017 0.71 CCR4 (0.47) CACNA2D1FLT3
SCHEMBL17831832 0.69 POLB (0.48) POLBSLC2A1TOP2ATSHRFLT3
SCHEMBL17829586 0.69 POLB (0.48) POLBSLC2A1TOP2ATSHRFLT3
SCHEMBL17829647 0.67 CTNNB1 (0.46) POLBSLC2A1
SCHEMBL17829568 0.67 RAD52 (0.59) POLBSLC2A1TOP2A
SCHEMBL17829636 0.67 RAD52 (0.47) POLBSLC2A1TOP2AFLT3

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 1188/4885CACNA2D1 2133/4885SLC2A1 2745/4885

“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.