SCHEMBL376959

SCHEMBL376959

COC1(Cc2ccc(F)cc2F)CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HTR2A P28223 5/20 0.45
DRD2 P14416 4/20 0.45
HTR2C P28335 4/20 0.45
KCNH2 Q12809 4/20 0.45
DPP4 P27487 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
AOC3 Q16853 1/20 0.38
GPR6 P46095 1/20 0.38
MAPK14 Q16539 1/20 0.37
RORC P51449 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL376891 0.86 KDM4E (0.45) KDM4ETP53KCNH2DPP4CHRNA10
SCHEMBL377037 0.83 KDM4E (0.52) KDM4ETP53HTR2ADRD2HTR2C
SCHEMBL376668 0.81 F2 (0.45) KDM4EHTR2ADRD2HTR2CKCNH2
SCHEMBL376293 0.78 CHRNA10 (0.40) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL376704 0.77 CHRNA10 (0.40) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL381688 0.76 KCNH2 (0.50) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL376939 0.76 MAPKAPK2 (0.45) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL26144303 0.73 GPR6 (0.56) KDM4ETP53HTR2ADRD2HTR2C
SCHEMBL12126935 0.71 KDM4E (0.53) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL2962385 0.71 KMT2A (0.38) KDM4ETP53

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 30/4885HTR2A 2426/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KDM4E 1408/4885TP53 30/4885HTR2A 2426/4885

“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.