SCHEMBL3672500

SCHEMBL3672500

CN(C)C=NS(=O)(=O)c1ccc(-c2nc(-c3cncnc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA9 Q16790 11/20 0.46
▸ CA2 P00918 9/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL3672498 1.00 LMNA (0.47) LMNAGAACA9CA2CA12
SCHEMBL3673452 0.84 CA9 (0.47) LMNAGAACA9CA2CA12
SCHEMBL3673454 0.84 CA9 (0.47) LMNAGAACA9CA2CA12
SCHEMBL1423028 0.73 NPC1 (0.56) LMNATP53SMN1; SMN2ALDH1A1NFKB1
SCHEMBL8264035 0.68 LMNA (0.67) LMNAGAACA9CA2CA12
SCHEMBL1421288 0.68 NPC1 (0.55) TP53SMN1; SMN2ALDH1A1NFKB1NFKB2
SCHEMBL3527255 0.68 LMNA (0.71) LMNAGAACA9CA2CA12
SCHEMBL3527258 0.68 LMNA (0.71) LMNAGAACA9CA2CA12
SCHEMBL29751607 0.66 GAA (1.00) LMNAGAACA9CA2CA12
SCHEMBL15761364 0.66 GAA (1.00) LMNAGAACA9CA2CA12

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 8 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-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 — — US claimed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — 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 LMNA 4089/4885GAA 2976/4885CA9 2710/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 LMNA 4645/4885GAA 1124/4885CA9 1212/4885

“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.

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