SCHEMBL3673454

SCHEMBL3673454

CN(C)C=NS(=O)(=O)c1ccc(-c2nc(-c3ccnnc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 10/20 0.47
▸ CA2 P00918 9/20 0.47
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ S1PR1 P21453 7/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3673452 1.00 CA9 (0.47) CA9CA2CA12CA1LMNA
SCHEMBL3672498 0.84 LMNA (0.47) CA9CA2CA12CA1LMNA
SCHEMBL3672500 0.84 LMNA (0.47) CA9CA2CA12CA1LMNA
SCHEMBL13417243 0.74 CA9 (0.72) CA9CA2CA12CA1S1PR1
SCHEMBL1421385 0.70 S1PR1 (0.62) CA9CA2CA12CA1S1PR1
SCHEMBL14327883 0.67 NPC1 (0.69) LMNAGAAS1PR1S1PR3MEN1
SCHEMBL8264035 0.66 LMNA (0.67) CA9CA2CA12CA1LMNA
SCHEMBL3527258 0.66 LMNA (0.71) CA9CA2CA12CA1LMNA
SCHEMBL3527255 0.66 LMNA (0.71) CA9CA2CA12CA1LMNA
SCHEMBL1421660 0.65 S1PR1 (0.56) S1PR1S1PR3MEN1NPC1RAB9A

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-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US claimed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 — — US disclosed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 — — US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — 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-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 CA9 2710/4885CA2 830/4885CA12 1567/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CA9 1212/4885CA2 1855/4885CA12 894/4885

“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.

Send feedback