SCHEMBL3583636

SCHEMBL3583636

N=C(N)c1ccc(N2CCC(=Cc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
WDR5 P61964 1/20 0.42
CCR3 P51677 1/20 0.39
BCL2L1 Q07817 2/20 0.37
BCL2 P10415 1/20 0.37
NQO2 P16083 2/20 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
SCHEMBL376896 0.80 F2 (0.49) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1742829 0.78 ENPP2 (0.45) BCL2L1BCL2NPC1ALDH1A1LMNA
SCHEMBL3589831 0.78 KDM4E (0.42) CCR3TP53
SCHEMBL376988 0.72 F2 (0.55) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13503884 0.71 BCL2L1 (0.39) BCL2L1BCL2ALDH1A1LMNAMAPT
SCHEMBL8106249 0.70 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL3594058 0.70 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL2800268 0.70 POLB (0.46) BCL2L1BCL2ALDH1A1MAPTHPGD
SCHEMBL2403330 0.70 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL376696 0.69 F2 (0.45) F2PRSS1PRSS2PRSS3TMPRSS6

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 F2 4874/4885PRSS1 944/4885PRSS2 1637/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD F2 4874/4885PRSS1 944/4885PRSS2 1637/4885

“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.