SCHEMBL17818481

SCHEMBL17818481

CN(C)CC(=O)n1cc(-c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MAT2A P31153 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
GFER P55789 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
APP P05067 1/20 0.34
SCN9A Q15858 1/20 0.34
MAP3K14 Q99558 1/20 0.34
NOTUM Q6P988 1/20 0.34
SLC6A3 Q01959 1/20 0.33
POLB P06746 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
SCHEMBL17829607 0.87 MAP3K14 (0.44) ALDH1A1MAPTMAPK1AKR1C3AKR1C2
SCHEMBL17825526 0.84 MAPT (0.38) ALDH1A1MAPTMAPK1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL17818452 0.83 MAPT (0.37) ALDH1A1MAPTMAPK1AKR1C3AKR1C2
SCHEMBL17818457 0.81 HTR6 (0.38) ALDH1A1MAPK1MAT2APOLB
SCHEMBL17818489 0.81 MAPT (0.40) MAPTMAPK1AKR1C3AKR1C2PSEN1
SCHEMBL17829608 0.80 AKR1C3 (0.42) MAPTMAPK1AKR1C3AKR1C2PSEN1
SCHEMBL17829966 0.79 AKR1C3 (0.35) MAPTMAPK1AKR1C3AKR1C2SCN9A
SCHEMBL17831847 0.78 AKR1C3 (0.41) MAPTMAPK1AKR1C3AKR1C2PSEN1
SCHEMBL17829967 0.77 KDM4E (0.37) MAPTMAPK1AKR1C3AKR1C2PSEN1
SCHEMBL17831851 0.77 FNTA (0.39) ALDH1A1MAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229593-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS Synereca Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
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
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
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 ALDH1A1 4840/4885L3MBTL1 4367/4885MAPT 4581/4885

“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.