SCHEMBL388419

SCHEMBL388419

N#Cc1ccc(N2CCC(O)(CC3CCCCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HTR7 P34969 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
CCR5 P51681 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KCNH2 Q12809 1/20 0.38
HTR6 P50406 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL376862 0.81 CHRNA10 (0.41) KDM4ETP53CTSSCTSKHTR7
SCHEMBL22848101 0.75 SIGMAR1 (0.52) KDM4ETP53HTR7CCR5HRH3
SCHEMBL22848081 0.75 SIGMAR1 (0.52) KDM4ETP53HTR7CCR5HRH3
SCHEMBL22848077 0.75 SIGMAR1 (0.52) KDM4ETP53HTR7CCR5HRH3
SCHEMBL22848102 0.73 SIGMAR1 (0.54) KDM4ETP53CTSSCTSKCCR5
SCHEMBL376920 0.73 AR (0.57) KDM4ETP53CHRNA10CHRNA9KCNH2
SCHEMBL23790298 0.72 KDM4E (0.54) KDM4ETP53CTSSCTSKCHRNA10
SCHEMBL29090711 0.72 POLB (0.45) KDM4ETP53CTSSCTSKCHRNA10
SCHEMBL9176367 0.71 KDM4E (0.53) KDM4ETP53CTSSCTSKCHRNA10
SCHEMBL6134966 0.71 KDM4E (0.43) KDM4ETP53CTSSCTSKHTR7

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-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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 (2 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD KDM4E 1408/4885TP53 30/4885CTSS 1453/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KDM4E 1408/4885TP53 30/4885CTSS 1453/4885

“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.