SCHEMBL3589831

SCHEMBL3589831

N#Cc1ccc(N2CCC(=Cc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CCR3 P51677 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
POLB P06746 1/20 0.38
HTR7 P34969 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CNR1 P21554 2/20 0.36
CHEK1 O14757 1/20 0.36
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL376567 0.79 KDM4E (0.44) KDM4ETP53CCR3POLBCHRNA10
SCHEMBL3583636 0.78 F2 (0.50) TP53CCR3
SCHEMBL1742829 0.72 ENPP2 (0.45) KDM4ETP53
SCHEMBL15939015 0.71 KDM4E (0.54) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL376663 0.70 KDM4E (0.67) KDM4ETP53HTR7CHRNA10CHRNA9
SCHEMBL6746188 0.69 AR (0.49) KDM4ETP53HTR7
SCHEMBL29473324 0.69 AR (0.49) KDM4ETP53HTR7
SCHEMBL376954 0.68 KDM4E (0.44) KDM4ETP53HTR7CHRNA10CHRNA9
SCHEMBL154178 0.68 KDM4E (0.68) KDM4ETP53POLBCHRNA10CHRNA9
SCHEMBL2384959 0.68 KDM4E (0.80) KDM4ETP53POLBADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 30/4885CCR3 3811/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KDM4E 1408/4885TP53 30/4885CCR3 3811/4885

“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.