SCHEMBL3273699

SCHEMBL3273699

O=S(=O)=C1NCc2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CDC25B P30305 3/20 0.32
PTPRC P08575 2/20 0.32
S100A4 P26447 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL2223651 0.75 CA12 (0.50) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL9407864 0.69 JAK2 (0.45) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL13629294 0.68 GAA (0.46) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL4670599 0.67 TDP2 (0.39) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL2044013 0.65
SCHEMBL585349 0.64 TDP1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL22579802 0.64 TDP1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL7812817 0.62 SLC40A1 (0.35) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL5235719 0.61 TDP2 (0.37) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL9933161 0.60 AHR (0.38) TDP1TDP2NSD2ABL1PLCG1

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-7692015-B2 Economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2010-04-06 US disclosed
US-20080221329-A1 Novel and economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2008-09-11 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 (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-20080221329-A1 Novel and economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer SULT1E1, CYP4X1, SULT1A1 TDP1 3752/4885TDP2 3040/4885NSD2 478/4885

“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.