SCHEMBL720597

SCHEMBL720597

CCCC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NFKBIA P25963 2/20 0.36
RELA Q04206 2/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
HTR1A P08908 2/20 0.34
CYBB P04839 1/20 0.34
NOX3 Q9HBY0 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.33
RECQL P46063 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL721599 0.89 MEN1 (0.38) MEN1USP2KMT2ACA1CA2
SCHEMBL5624731 0.81 HTR1A (0.48) MEN1USP2KMT2ACA1CA2
SCHEMBL6687431 0.80 TP53 (0.39) MEN1USP2KMT2AALDH1A1LMNA
SCHEMBL721406 0.79 CA1 (0.55) MEN1KMT2ACA1CA2NFKBIA
SCHEMBL719010 0.73 NPC1 (0.47) MEN1USP2KMT2AALDH1A1LMNA
SCHEMBL7953046 0.73 CA1 (0.35) MEN1KMT2ACA1CA2NFKBIA
SCHEMBL721277 0.72 NPC1 (0.47) MEN1USP2KMT2AALDH1A1LMNA
SCHEMBL720214 0.70 CA1 (0.38) MEN1KMT2ACA1CA2NFKBIA
SCHEMBL4259575 0.70 CTSK (0.36) CA1CA2ALDH1A1CYBBNOX3
Water SCHEMBL8629245 0.69 ALDH1A1 (0.37) MEN1USP2KMT2ACA1CA2

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 MEN1 787/4885USP2 3907/4885KMT2A 1387/4885
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL KCNN4, KCNN1, GPR119 MEN1 485/4885USP2 3813/4885KMT2A 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.