SCHEMBL376567

SCHEMBL376567

N#Cc1ccc(N2CCC(=Cc3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CCR3 P51677 1/20 0.41
TNF P01375 1/20 0.40
IL6 P05231 1/20 0.40
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 1/20 0.37
MLYCD O95822 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
AR P10275 1/20 0.36
POLB P06746 1/20 0.35
BCL2L1 Q07817 2/20 0.34
BCL2 P10415 1/20 0.34
HTT P42858 2/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2973276 0.83 CCR3 (0.44) KDM4ECCR3TNFIL6BCL2L1
SCHEMBL1742861 0.79 HPGD (0.45) KDM4ECCR3TNFIL6POLB
SCHEMBL3589831 0.79 KDM4E (0.42) KDM4ETP53CCR3CHRNA10CHRNA9
SCHEMBL376896 0.78 F2 (0.49) CCR3TNFIL6BCL2L1BCL2
SCHEMBL25375799 0.74 TNF (0.59) CCR3TNFIL6HTTMYC
SCHEMBL1742121 0.73 ALDH1A1 (0.44) TP53BCL2L1BCL2HTTALDH1A1
SCHEMBL5808456 0.72 RORC (0.46) CCR3TNFIL6BCL2L1BCL2
SCHEMBL376663 0.72 KDM4E (0.67) KDM4ETP53CHRNA10CHRNA9AR
SCHEMBL5015224 0.70 TNF (0.51) CCR3TNFIL6MYCMAX
SCHEMBL15939015 0.70 KDM4E (0.54) KDM4ETP53TNFMLYCDCHRNA10

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 30/4885CCR3 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.