SCHEMBL4737868

SCHEMBL4737868

CNCCC(CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 16/20 0.78
DOT1L Q8TEK3 1/20 0.54
BCL2 P10415 12/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCL2L2 Q92843 2/20 0.47
ALB P02768 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4737863 1.00 BCL2L1 (0.78) BCL2L1DOT1LBCL2POLBMAPT
SCHEMBL2948219 0.88 BCL2L1 (0.77) BCL2L1DOT1LBCL2POLBMAPT
SCHEMBL27671268 0.88 BCL2L1 (0.89) BCL2L1DOT1LBCL2BCL2L2ALB
SCHEMBL1542046 0.88 BCL2L1 (0.89) BCL2L1DOT1LBCL2BCL2L2ALB
SCHEMBL376632 0.87 BCL2L1 (1.00) BCL2L1BCL2BCL2L2ALB
SCHEMBL29686481 0.87 BCL2L1 (1.00) BCL2L1BCL2BCL2L2ALB
SCHEMBL31570834 0.87 BCL2L1 (0.76) BCL2L1DOT1LBCL2BCL2L2ALB
SCHEMBL554723 0.87 BCL2L1 (1.00) BCL2L1BCL2BCL2L2ALB
SCHEMBL1541685 0.87 BCL2L1 (0.88) BCL2L1DOT1LBCL2BCL2L2ALB
SCHEMBL4733552 0.87 BCL2L1 (0.88) BCL2L1DOT1LBCL2BCL2L2ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO 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 (1 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 BCL2L1 358/4885DOT1L 140/4885BCL2 59/4885

“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.