SCHEMBL2979543

SCHEMBL2979543

CS(=O)(=O)N1CCN(Cc2c[c]ccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP2D6 P10635 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1029651 0.82 RECQL (0.73) SMN1; SMN2RECQLALDH1A1CYP2D6MEN1
SCHEMBL61472 0.81 MC4R (0.62) ALDH1A1KDM4ELMNA
SCHEMBL27826705 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL845155 0.79 HRH3 (0.52) SMN1; SMN2ALDH1A1CYP2D6KDM4ECYP2C9
SCHEMBL23113743 0.79 HRH3 (0.47) SMN1; SMN2ALDH1A1CYP2D6KDM4E
SCHEMBL2978762 0.78 HRH3 (0.59) SMN1; SMN2ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL27729397 0.77 HRH3 (0.50) SMN1; SMN2ALDH1A1CYP2D6KDM4ECYP2C9
SCHEMBL161004 0.77 HRH3 (0.55) SMN1; SMN2ALDH1A1CYP2D6KDM4ECYP2C9
SCHEMBL7677285 0.77 SIGMAR1 (0.47) SMN1; SMN2ALDH1A1KMT2ALMNAMAPK1
SCHEMBL15829985 0.76 ALDH1A1 (0.57) SMN1; SMN2RECQLALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 SMN1; SMN2 2234/4885RECQL 1256/4885ALDH1A1 806/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 SMN1; SMN2 4060/4885RECQL 4063/4885ALDH1A1 163/4885

“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.