SCHEMBL17829656

SCHEMBL17829656

CCN(CC)CCCCNc1nc(-c2cn(Cc3ccccc3)c3ccccc23)nc2c(C)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SLC2A1 P11166 1/20 0.44
CACNA2D1 P54289 1/20 0.41
TOP2A P11388 1/20 0.41
FLT3 P36888 3/20 0.40
F2RL3 Q96RI0 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
CHRM1 P11229 1/20 0.37
ESR1 P03372 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LCK P06239 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL17829655 0.89 RAD52 (0.46) POLBSLC2A1TOP2AFLT3PDE4A
SCHEMBL17829654 0.86 CCR4 (0.49) CACNA2D1FLT3KDM4EALDH1A1CYP3A4
SCHEMBL17829863 0.81 POLB (0.47) POLBSLC2A1TOP2AFLT3ALDH1A1
SCHEMBL17829864 0.81 POLB (0.47) POLBSLC2A1TOP2AFLT3ESR1
SCHEMBL17829793 0.80 POLB (0.44) POLBTOP2AFLT3ALDH1A1MEN1
SCHEMBL17829569 0.78 POLB (0.45) POLBSLC2A1TOP2AFLT3ALDH1A1
SCHEMBL17829648 0.77 POLB (0.46) POLBSLC2A1CACNA2D1TOP2AFLT3
SCHEMBL17829906 0.76 POLB (0.43) POLBSLC2A1TOP2AFLT3ALDH1A1
SCHEMBL17829572 0.76 CCR4 (0.47) CACNA2D1FLT3
SCHEMBL17829907 0.76 CYP1A2 (0.37) KDM4EALDH1A1CYP3A4TSHRHSD17B10

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 1188/4885SLC2A1 2745/4885CACNA2D1 2133/4885

“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.