SCHEMBL720214

SCHEMBL720214

O=S1(=O)N=C(C2CC=CC2)Nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.33
RELA Q04206 4/20 0.32
JUN P05412 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
CYBB P04839 1/20 0.31
NOX3 Q9HBY0 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
NFKBIA P25963 2/20 0.31

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
SCHEMBL720876 0.81 ABCC8 (0.44) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL721406 0.75 CA1 (0.55) CA1CA2KMT2AMEN1MAPT
SCHEMBL721599 0.72 MEN1 (0.38) CA1CA2KMT2AMEN1MAPT
SCHEMBL7953046 0.72 CA1 (0.35) CA1CA2KMT2AMEN1MAPT
SCHEMBL718852 0.71 MEN1 (0.39) CA1CA2KMT2AMEN1MAPT
SCHEMBL720597 0.70 MEN1 (0.36) CA1CA2KMT2AMEN1MAPT
SCHEMBL10422692 0.65 PLCG1 (0.54) CA1CA2TDP2
SCHEMBL27526105 0.65 CA1 (0.39) CA1CA2KMT2AMEN1MAPT
SCHEMBL6687431 0.65 TP53 (0.39) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL27378289 0.64 ALDH1A1 (0.40) CA1CA2KMT2AMEN1MAPT

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-20120053172-A1 USE OF A COMBINATION OF DIAZOXIDE AND METFORMIN FOR TREATING OBESITY OR OBESITY RELATED DISORDERS COOPERATIEVE MIRZORG U.A. 2012-03-01 US disclosed
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL COOPERATIEVE MIRZORG U.A. (NL) 2010-09-16 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-20120053172-A1 USE OF A COMBINATION OF DIAZOXIDE AND METFORMIN FOR TREATING OBESITY OR OBESITY RELATED DISORDERS GPR119, KCNJ1, GLP1R CA1 3123/4885CA2 544/4885KMT2A 1387/4885
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL KCNN4, KCNN1, GPR119 CA1 2370/4885CA2 563/4885KMT2A 1540/4885

“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.