SCHEMBL17829967

SCHEMBL17829967

CC[C@H](N)C(=O)n1cc(-c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
APP P05067 1/20 0.36
MAP3K14 Q99558 1/20 0.35
ICMT O60725 3/20 0.35
PRKCZ Q05513 1/20 0.35
SCN9A Q15858 1/20 0.33

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
SCHEMBL17818467 0.96 SCN9A (0.38) KDM4ESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL17818469 0.96 SCN9A (0.38) KDM4ESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL17831847 0.87 AKR1C3 (0.41) KDM4ESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL17829608 0.85 AKR1C3 (0.42) AKR1C3AKR1C2MAPTMAPK1PSEN1
SCHEMBL17829607 0.82 MAP3K14 (0.44) KDM4EAKR1C3AKR1C2MAPTMAPK1
SCHEMBL17825526 0.80 MAPT (0.38) KDM4EAKR1C3AKR1C2MAPTMAPK1
Hydrochloric Acid SCHEMBL17818452 0.79 MAPT (0.37) KDM4EAKR1C3AKR1C2MAPTMAPK1
SCHEMBL17829591 0.79 XIAP (0.38) KDM4EAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL17831905 0.78 ALDH1A1 (0.42) KDM4EAKR1C3AKR1C2MAPTPRKCZ
SCHEMBL17818481 0.77 ALDH1A1 (0.36) AKR1C3AKR1C2MAPTMAPK1PSEN1

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 KDM4E 4525/4885SLC1A3 3270/4885SLC1A2 3913/4885

“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.