SCHEMBL17829902

SCHEMBL17829902

Cc1cccc2c(NCCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.41
TOP2A P11388 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMARCA2 P51531 1/20 0.38
FLT3 P36888 3/20 0.37
TLR9 Q9NR96 1/20 0.37
PRKCI P41743 1/20 0.37
MEN1 O00255 1/20 0.36
SYK P43405 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL17829836 0.97 RAD52 (0.48) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829891 0.94 RAD52 (0.44) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829872 0.91 RAD52 (0.52) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829870 0.90 ALDH1A1 (0.47) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829871 0.89 ALDH1A1 (0.47) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829586 0.88 POLB (0.48) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829865 0.88 ALDH1A1 (0.46) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829573 0.88 RAD52 (0.54) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829946 0.88 SYK (0.47) ALDH1A1SYK
SCHEMBL17833279 0.88 CTNNB1 (0.37) RAD52KMT2AALDH1A1RXFP1KCNH2

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 4559/4885ALDH1A1 4840/4885

“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.