SCHEMBL431064

SCHEMBL431064

NC(=NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 20/20 0.61
BCL2 P10415 17/20 0.61
BCL2L2 Q92843 6/20 0.57
MCL1 Q07820 1/20 0.53

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
SCHEMBL431063 1.00 BCL2L1 (0.61) BCL2L1BCL2BCL2L2MCL1
SCHEMBL13503690 1.00 BCL2L1 (0.61) BCL2L1BCL2BCL2L2MCL1
SCHEMBL376606 0.90 BCL2L1 (0.65) BCL2L1BCL2BCL2L2
SCHEMBL13503539 0.90 BCL2L1 (0.65) BCL2L1BCL2BCL2L2
SCHEMBL13504030 0.90 BCL2L1 (0.59) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3590505 0.88 BCL2L1 (0.67) BCL2L1BCL2BCL2L2MCL1
SCHEMBL13503920 0.85 BCL2L1 (0.61) BCL2L1BCL2BCL2L2
SCHEMBL13503599 0.84 BCL2L1 (0.81) BCL2L1BCL2BCL2L2MCL1
SCHEMBL13503670 0.84 BCL2L1 (0.66) BCL2L1BCL2BCL2L2
SCHEMBL376295 0.84 BCL2L1 (0.66) BCL2L1BCL2BCL2L2

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
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US claimed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 US claimed
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-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 BCL2L1 18/4885BCL2 2/4885BCL2L2 24/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD BCL2L1 18/4885BCL2 2/4885BCL2L2 24/4885

“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.