SCHEMBL17829581

SCHEMBL17829581

Cc1cccc2c(NCCCN3CCN(C)CC3)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 2/20 0.42
LMNA P02545 1/20 0.42
ACP1 P24666 3/20 0.41
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.38

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
SCHEMBL17829583 0.93 ACP1 (0.49) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL17829892 0.92 MAPT (0.53) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL17829912 0.92 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL17831861 0.87 MAPT (0.43) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL17829946 0.85 SYK (0.47) KDM4EALDH1A1
SCHEMBL17833279 0.85 CTNNB1 (0.37) KDM4EALDH1A1KMT2AACP1CTSK
SCHEMBL17829899 0.84 SYK (0.36) KDM4EALDH1A1POLBKMT2AACP1
SCHEMBL17829836 0.83 RAD52 (0.48) MEN1ALDH1A1POLBKMT2AMAPK1
SCHEMBL17829902 0.82 RAD52 (0.45) MEN1ALDH1A1POLBKMT2AACP1
SCHEMBL17829586 0.82 POLB (0.48) KDM4EMEN1ALDH1A1POLBKMT2A

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 MAPT 4581/4885KDM4E 4525/4885MEN1 751/4885

“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.