SCHEMBL17829960

SCHEMBL17829960

Cc1cc(N2CCOCC2)cc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
RAD52 P43351 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
TLR9 Q9NR96 4/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SYK P43405 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 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
SCHEMBL17829860 0.87 KCNH2 (0.47) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829957 0.86 ALDH1A1 (0.42) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829576 0.82 RAD52 (0.55) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829883 0.78 ALDH1A1 (0.54) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829914 0.78 ALDH1A1 (0.47) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829965 0.78 RAD52 (0.43) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829945 0.77 ALDH1A1 (0.49) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17833285 0.77 MAPT (0.42) KCNH2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL17831894 0.77 KCNH2 (0.46) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829844 0.77 RAD52 (0.48) KCNH2ALDH1A1MAPK1RAD52KMT2A

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 KCNH2 3167/4885ALDH1A1 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.