SCHEMBL92671

SCHEMBL92671

CC(=O)NS(=O)(=O)N(C)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.38
MDM2 Q00987 1/20 0.37
NAMPT P43490 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EPHX1 P07099 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL84997 0.82 LMNA (0.40) LMNASMN1; SMN2CHRM5CHKAMDM2
SCHEMBL2759854 0.78 PIK3C3 (0.36) LMNASMN1; SMN2TP53TSHRKMT2A
SCHEMBL5656924 0.74 CHRM5 (0.50) LMNASMN1; SMN2CHRM5CHKAMDM2
SCHEMBL15867019 0.71 LMNA (0.54) LMNASMN1; SMN2CHRM5CHKATSHR
SCHEMBL10092605 0.71 SMN1; SMN2 (0.61) SMN1; SMN2TSHRALDH1A1KDM4EPTGS2
SCHEMBL4413177 0.69 ALDH1A1 (0.57) LMNASMN1; SMN2TSHRNAMPTALDH1A1
Acetone SCHEMBL28700630 0.69 CHRM5 (0.76) SMN1; SMN2CHRM5CHKATSHRNAMPT
Acetic Acid SCHEMBL7780301 0.67 CHRM5 (0.73) SMN1; SMN2CHRM5CHKATSHRALDH1A1
SCHEMBL4385687 0.67 KMT2A (0.53) SMN1; SMN2CHRM5CHKATP53ALDH1A1
SCHEMBL28208758 0.67 CHRM5 (0.64) SMN1; SMN2CHRM5CHKATP53NAMPT

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 7 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-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 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 (3 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-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 LMNA 1104/4885SMN1; SMN2 2573/4885CHRM5 260/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 LMNA 1382/4885SMN1; SMN2 2872/4885CHRM5 213/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B LMNA 195/4885SMN1; SMN2 2083/4885CHRM5 112/4885

“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.