SCHEMBL17829591

SCHEMBL17829591

Cc1cc(-c2cn(C(=O)C(C)N)c3ccc(Cl)cc23)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
ACLY P53396 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHRNA7 P36544 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
GFER P55789 1/20 0.32
ICMT O60725 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC9A1 P19634 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL17831847 0.91 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGDR2KDM4E
SCHEMBL17829593 0.83 PTGS2 (0.37) AKR1C3AKR1C2PTGS2PTGS1PTGDR2
SCHEMBL17829608 0.81 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2PTGDR2ICMT
SCHEMBL17831839 0.80 ICMT (0.34) AKR1C3AKR1C2PTGS2PTGS1KDM4E
SCHEMBL17829967 0.79 KDM4E (0.37) AKR1C3AKR1C2PTGDR2KDM4EICMT
SCHEMBL17818467 0.75 SCN9A (0.38) AKR1C3AKR1C2KDM4EICMTPSEN1
SCHEMBL17818469 0.75 SCN9A (0.38) AKR1C3AKR1C2KDM4EICMTPSEN1
SCHEMBL17829607 0.71 MAP3K14 (0.44) AKR1C3AKR1C2PTGDR2KDM4EPSEN1
Hydrochloric Acid SCHEMBL17818452 0.71 MAPT (0.37) AKR1C3AKR1C2KDM4EPSEN1PSEN2
SCHEMBL17818481 0.69 ALDH1A1 (0.36) AKR1C3AKR1C2GFERPSEN1PSEN2

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 1 patent. 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

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 XIAP 766/4885AKR1C3 4463/4885AKR1C2 4279/4885

“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.