SCHEMBL1880405

SCHEMBL1880405

CN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
GAA P10253 3/20 0.58
RECQL P46063 1/20 0.57
HTT P42858 6/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 3/20 0.53
RAB9A P51151 2/20 0.49
NR1H3 Q13133 1/20 0.49
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1880407 1.00 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1879890 0.89 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1879891 0.89 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1871634 0.88 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1871632 0.88 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL5531936 0.87 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL5531935 0.87 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL1878523 0.86 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1878525 0.86 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2GAARECQL
SCHEMBL1877261 0.86 SIRT2 (0.52) ALDH1A1MAPTSMN1; SMN2GAARECQL

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-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP disclosed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 ALDH1A1 113/4885MAPT 2772/4885SMN1; SMN2 1509/4885
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 ALDH1A1 277/4885MAPT 3005/4885SMN1; SMN2 896/4885

“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.