SCHEMBL17829655

SCHEMBL17829655

Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4ccccc34)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
HTR6 P50406 2/20 0.43
MEN1 O00255 2/20 0.43
TOP2A P11388 2/20 0.42
FLT3 P36888 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ATM Q13315 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
CHRM1 P11229 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
SCHEMBL17829864 0.92 POLB (0.47) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829863 0.92 POLB (0.47) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829793 0.91 POLB (0.44) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829569 0.89 POLB (0.45) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829656 0.89 POLB (0.44) ALDH1A1KMT2APOLBMEN1TOP2A
SCHEMBL17829906 0.86 POLB (0.43) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829636 0.86 RAD52 (0.47) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829829 0.82 POLB (0.41) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829796 0.80 POLB (0.45) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829805 0.79 POLB (0.44) RAD52ALDH1A1MAPK1KMT2APOLB

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 1940/4885ALDH1A1 4840/4885MAPK1 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.