SCHEMBL92826

SCHEMBL92826

CCC(=O)NS(=O)(=O)N(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 2/20 0.31
CA9 Q16790 1/20 0.31
CYP2C9 P11712 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL92830 0.82 CA1 (0.44) CA1CA2ATMKDM4EALDH1A1
SCHEMBL92835 0.80 CA12 (0.38) CA1CA2ATMKDM4EALDH1A1
SCHEMBL12807884 0.80 CA1 (0.37) CA1CA2CA12CA7CA14
SCHEMBL85044 0.75 CA1 (0.35) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL13768117 0.74 USP2 (0.33) ATMLMNANPSR1MEN1KMT2A
SCHEMBL13940753 0.71 CA12 (0.63) CA1CA2KDM4EMAPTMEN1
SCHEMBL6059202 0.71 MEN1 (0.42) CA1CA2ATMKDM4EALDH1A1
SCHEMBL8205462 0.70
SCHEMBL23617843 0.69
SCHEMBL4766625 0.69 MEN1 (0.40) CA1CA2ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-7807828-B2 Olanzapine analogs and methods of use thereof HYPNION, INC. (US) 2010-10-05 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction HYPNION, INC. 2007-02-22 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 (4 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-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction GABRB3, GRIN2C, GABRB2 CA1 3793/4885CA2 3543/4885ATM 2874/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 CA1 1782/4885CA2 1519/4885ATM 4562/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 CA1 1748/4885CA2 1319/4885ATM 4516/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B CA1 3242/4885CA2 3302/4885ATM 4217/4885

“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.