SCHEMBL13136199

SCHEMBL13136199

CC(=O)NCCN(CC1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 4/20 0.41
NPY1R P25929 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL13136198 0.83 THRB (0.47) THRBPKMKMT2AMEN1ALDH1A1
SCHEMBL2865693 0.82 KMT2A (0.46) PKMKMT2AMEN1ALDH1A1NPY5R
SCHEMBL20269611 0.81 ALDH1A1 (0.44) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL24179429 0.77 ACACB (0.40) KMT2AMEN1ALDH1A1MAPTNPY5R
SCHEMBL6774597 0.76 TAS2R14 (0.47) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL6775989 0.75 TAS2R14 (0.48) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL26117580 0.74 PTPN1 (0.37) THRBPKMKMT2AMEN1ALDH1A1
SCHEMBL26116904 0.72 THRB (0.63) THRBPKMKMT2AMEN1ALDH1A1
SCHEMBL16156942 0.72 MEN1 (0.41) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL16156921 0.71 THRB (0.39) THRBKMT2AMEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 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 (1 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 THRB 332/4885PKM 4094/4885KMT2A 922/4885

“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.