SCHEMBL2759569

SCHEMBL2759569

CCC(=O)NS(=O)(=O)c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
PTGS2 P35354 2/20 0.36
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL10690976 0.79 P2RX7 (0.42) P2RX7PTGS2KDM4ECA1CA2
SCHEMBL13764331 0.78 ALDH1A1 (0.46) P2RX7PTGS2ALDH1A1KDM4EHPGD
SCHEMBL84991 0.78 KDM4E (0.43) P2RX7PTGS2ALDH1A1KDM4ECA1
SCHEMBL10251285 0.77 PTGS2 (0.51) PTGS2NR4A2ALDH1A1CA1CA2
SCHEMBL19422050 0.72 HSP90AA1 (0.37) P2RX7HPGDCA1CA2CA12
SCHEMBL6361625 0.70 SMN1; SMN2 (0.47) P2RX7ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL22692755 0.69 PTGS2 (0.52) PTGS2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5220679 0.68 HSP90AA1 (0.39) P2RX7PTGS2CA1CA2CA12
SCHEMBL27564370 0.68 HSP90AA1 (0.39) P2RX7KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL29579947 0.68 HSP90AA1 (0.39) P2RX7KDM4EHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (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-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 P2RX7 411/4885PTGS2 960/4885NR4A2 217/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 P2RX7 7/4885PTGS2 791/4885NR4A2 1077/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B P2RX7 748/4885PTGS2 2142/4885NR4A2 1019/4885

“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.