SCHEMBL3378638

SCHEMBL3378638

O=C(O)C(Cc1c[nH]cn1)NCl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.34
CPB1 P15086 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
GGT1 P19440 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL3378642 1.00 CPB2 (0.34) CPB2CPB1SMN1; SMN2GGT1ITGB2
SCHEMBL669444 0.87 CPB2 (0.34) CPB2CPB1SMN1; SMN2
Hydrochloric Acid SCHEMBL30634622 0.87 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL669445 0.87 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL30457026 0.86 ITGB2 (0.33) CPB2CPB1ITGB2ICAM1ITGAL
SCHEMBL1666636 0.85 CPB2 (0.36) CPB2CPB1SMN1; SMN2
SCHEMBL6887981 0.85 CPB2 (0.33) CPB2CPB1SMN1; SMN2
SCHEMBL4292047 0.85 CPB2 (0.33) CPB2CPB1SMN1; SMN2
SCHEMBL163396 0.85 CPB2 (0.36) CPB2CPB1SMN1; SMN2ITGB2ICAM1
SCHEMBL1666632 0.85 CPB2 (0.36) CPB2CPB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US claimed
US-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2024-03-21 US disclosed
CN-116710046-A Phosphonic acid and N-halamine compositions for tartar removal O.Y.M.创新有限公司 2023-09-05 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed
US-3943628-A Spoon excavator for applying chemically acting tooth decay attacking fluid KRONMAN JOSEPH H 1976-03-16 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-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL PHOSPHO1, PHPT1, PTMS CPB2 2083/4885CPB1 987/4885SMN1; SMN2 4330/4885
US-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 CPB2 1583/4885CPB1 1961/4885SMN1; SMN2 887/4885

“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.